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

Systemtic Name: 2-[3-(4-chlorophenyl)-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl]-N-(2-methoxyphenyl)acetamide CAS Name: 2-[3-(4-chlorophenyl)-4-(1-pyrrolyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-4-pyrrol-1-yl-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[3-(4-chlorophenyl)-4-pyrrol-1-yl-5-thioxo-1,2,4-triazol-1-yl]-N-(2-methoxyphenyl)acetamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)N4C=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)N4C=CC=C4

InChI

InChI=1S/C21H18ClN5O2S/c1-29-18-7-3-2-6-17(18)23-19(28)14-26-21(30)27(25-12-4-5-13-25)20(24-26)15-8-10-16(22)11-9-15/h2-13H,14H2,1H3,(H,23,28)