[4-[[3-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxy-phenyl] ethanoate

Systemtic Name: [4-[[3-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxy-phenyl] ethanoate Openeye Name: [4-[[3-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxy-phenyl] acetate CAS Name: acetic acid [4-[[3-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] ester IUPAC Name: [4-[[3-(3-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenyl] acetate Traditional Name: acetic acid [4-[[3-(3-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxy-phenyl] ester Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1OC)C=NN2C(=NNC2=S)C3=CC(=CC=C3)Cl)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1OC)C=NN2C(=NNC2=S)C3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C19H17ClN4O4S/c1-11(25)28-17-15(26-2)7-12(8-16(17)27-3)10-21-24-18(22-23-19(24)29)13-5-4-6-14(20)9-13/h4-10H,1-3H3,(H,23,29)