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

Systemtic Name: 2-[(4-azanyl-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[[4-amino-5-(2-indolylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(4-amino-5-indol-2-ylidene-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O2S/c1-12(27)13-6-4-7-15(9-13)22-18(28)11-29-20-25-24-19(26(20)21)17-10-14-5-2-3-8-16(14)23-17/h2-10,24H,11,21H2,1H3,(H,22,28)