2-[3-(4-chlorophenyl)-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[3-(4-chlorophenyl)-4-(1-pyrrolyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[3-(4-chlorophenyl)-4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl]-N-(o-tolyl)acetamide Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)N4C=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)N4C=CC=C4

InChI

InChI=1S/C21H18ClN5OS/c1-15-6-2-3-7-18(15)23-19(28)14-26-21(29)27(25-12-4-5-13-25)20(24-26)16-8-10-17(22)11-9-16/h2-13H,14H2,1H3,(H,23,28)