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

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-methoxyphenyl)acetamide Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4O2S/c1-24-14-8-6-13(7-9-14)19-15(23)10-22-16(20-21-17(22)25)11-2-4-12(18)5-3-11/h2-9H,10H2,1H3,(H,19,23)(H,21,25)