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

Systemtic Name: 2-[(4-azanyl-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(2-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethylphenyl)acetamide Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NNC(=C3C=C4C=CC=CC4=N3)N2N)C

InChI

InChI=1S/C20H20N6OS/c1-12-7-13(2)9-15(8-12)22-18(27)11-28-20-25-24-19(26(20)21)17-10-14-5-3-4-6-16(14)23-17/h3-10,24H,11,21H2,1-2H3,(H,22,27)