4-[(Z)-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate

Systemtic Name: 4-[(Z)-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 4-[(Z)-[3-(3,4-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 4-[(Z)-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 4-[(Z)-[3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Traditional Name: 4-[(Z)-[3-(3,4-dimethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C18H15N4O4S- MolecularWeight: 383.4011

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=S)N2/N=C\C3=CC=C(C=C3)C(=O)[O-])OC

InChI

InChI=1S/C18H16N4O4S/c1-25-14-8-7-13(9-15(14)26-2)16-20-21-18(27)22(16)19-10-11-3-5-12(6-4-11)17(23)24/h3-10H,1-2H3,(H,21,27)(H,23,24)/p-1/b19-10-