2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methoxy-N-methyl-ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methoxy-N-methyl-ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methoxy-N-methyl-acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methoxy-N-methylacetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methoxy-N-methylacetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methoxy-N-methyl-acetamide Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl)OC

Isomeric SMILES

CN(C(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C12H13ClN4O2S/c1-16(19-2)10(18)7-17-11(14-15-12(17)20)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H,15,20)