N-(2,3-dimethylphenyl)-2-(3-methyl-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-(3-methyl-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-(3-methyl-4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl)acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[3-methyl-4-(1-pyrrolyl)-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-(3-methyl-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-(3-methyl-4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl)acetamide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2C(=S)N(C(=N2)C)N3C=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2C(=S)N(C(=N2)C)N3C=CC=C3)C

InChI

InChI=1S/C17H19N5OS/c1-12-7-6-8-15(13(12)2)18-16(23)11-21-17(24)22(14(3)19-21)20-9-4-5-10-20/h4-10H,11H2,1-3H3,(H,18,23)