(3R)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one

Systemtic Name: (3R)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: (3R)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: (3R)-3-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3R)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: (3R)-3-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C19H21N5OS/c25-18-16(7-3-4-10-20-18)26-19-23-22-17(24(19)12-8-9-12)14-11-21-15-6-2-1-5-13(14)15/h1-2,5-6,11-12,16,22H,3-4,7-10H2,(H,20,25)/t16-/m1/s1