(2R)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide Openeye Name: (2R)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: (2R)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide Traditional Name: (2R)-N-(2-cyanoethyl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-methyl-propionamide Formula: C20H22N6OS MolecularWeight: 394.49328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

InChI

InChI=1S/C20H22N6OS/c1-13(19(27)25(2)11-5-10-21)28-20-24-23-18(26(20)14-8-9-14)16-12-22-17-7-4-3-6-15(16)17/h3-4,6-7,12-14,23H,5,8-9,11H2,1-2H3/t13-/m1/s1