Name: Name:N,N-diethyl-3-[4-(2-phenylethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide
Brand: Angene
SKU: AG019HFU
Rating: 90 (10 reviews)

N,N-diethyl-3-[4-(2-phenylethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide

CAS No.:

380436-84-0

Catalog Number:

AG019HFU

Molecular Formula:

C20H24N4O2S2

Molecular Weight:

416.5602

Catalog Number:

AG019HFU

Chemical Name:

N,N-diethyl-3-[4-(2-phenylethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]benzene-1-sulfonamide

CAS Number:

380436-84-0

Molecular Formula:

C20H24N4O2S2

Molecular Weight:

416.5602

MDL Number:

MFCD03476320

IUPAC Name:

N,N-diethyl-3-[4-(2-phenylethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzenesulfonamide

InChI:

InChI=1S/C20H24N4O2S2/c1-3-23(4-2)28(25,26)18-12-8-11-17(15-18)19-21-22-20(27)24(19)14-13-16-9-6-5-7-10-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,27)

InChI Key:

KKSZTGUVOUDGQT-UHFFFAOYSA-N

SMILES:

CCN(S(=O)(=O)c1cccc(c1)c1nnc(n1CCc1ccccc1)S)CC

Complexity:

664

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

416.134g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

416.558g/mol

Monoisotopic Mass:

416.134g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5