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

Systemtic Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-hexylacetamide Traditional Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-hexyl-acetamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

Isomeric SMILES

CCCCCCNC(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4CC4

InChI

InChI=1S/C21H27N5OS/c1-2-3-4-7-12-22-19(27)14-28-21-25-24-20(26(21)15-10-11-15)17-13-23-18-9-6-5-8-16(17)18/h5-6,8-9,13,15,24H,2-4,7,10-12,14H2,1H3,(H,22,27)