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

Systemtic Name: 3-[[3-(5-chloranyl-2-methoxy-phenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoate Openeye Name: 3-[[3-(5-chloro-2-methoxy-phenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoate CAS Name: 3-[[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoate IUPAC Name: 3-[[3-(5-chloro-2-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoate Traditional Name: 3-[[3-(5-chloro-2-methoxy-phenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoate Formula: C17H13ClN3O3S- MolecularWeight: 374.82142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C17H14ClN3O3S/c1-24-14-6-5-12(18)8-13(14)15-19-20-17(25)21(15)9-10-3-2-4-11(7-10)16(22)23/h2-8H,9H2,1H3,(H,20,25)(H,22,23)/p-1