4-[3-(5-chloranyl-2-methoxy-phenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate

Systemtic Name: 4-[3-(5-chloranyl-2-methoxy-phenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Openeye Name: 4-[3-(5-chloro-2-methoxy-phenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate CAS Name: 4-[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate IUPAC Name: 4-[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoate Traditional Name: 4-[3-(5-chloro-2-methoxy-phenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]benzoate Formula: C16H11ClN3O3S- MolecularWeight: 360.79484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H12ClN3O3S/c1-23-13-7-4-10(17)8-12(13)14-18-19-16(24)20(14)11-5-2-9(3-6-11)15(21)22/h2-8H,1H3,(H,19,24)(H,21,22)/p-1