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

Systemtic Name: N-(3,4-dimethylphenyl)-2-(4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-(4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl)acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[4-(1-pyrrolyl)-5-sulfanylidene-1,2,4-triazol-1-yl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl)acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-(4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl)acetamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5OS/c1-12-5-6-14(9-13(12)2)18-15(22)10-20-16(23)21(11-17-20)19-7-3-4-8-19/h3-9,11H,10H2,1-2H3,(H,18,22)