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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C27H30N6OS MolecularWeight: 486.6317

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6CC6

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=C4C=NC5=CC=CC=C54)N3C6CC6

InChI

InChI=1S/C27H30N6OS/c34-25(29-19-9-11-20(12-10-19)32-15-5-1-2-6-16-32)18-35-27-31-30-26(33(27)21-13-14-21)23-17-28-24-8-4-3-7-22(23)24/h3-4,7-12,17,21,30H,1-2,5-6,13-16,18H2,(H,29,34)