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

Systemtic Name: 1-(azepan-1-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C21H25N5OS/c27-19(25-11-5-1-2-6-12-25)14-28-21-24-23-20(26(21)15-9-10-15)17-13-22-18-8-4-3-7-16(17)18/h3-4,7-8,13,15,23H,1-2,5-6,9-12,14H2