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

Systemtic Name: N-(2,5-dimethylphenyl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C

InChI

InChI=1S/C21H21N5OS/c1-13-8-9-14(2)18(10-13)23-19(27)12-28-21-25-24-20(26(21)3)16-11-22-17-7-5-4-6-15(16)17/h4-11,24H,12H2,1-3H3,(H,23,27)