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

Systemtic Name: 3-[[3-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoate Openeye Name: 3-[[3-(2,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoate CAS Name: 3-[[3-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoate IUPAC Name: 3-[[3-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]methyl]benzoate Traditional Name: 3-[[3-(2,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]methyl]benzoate Formula: C16H10Cl2N3O2S- MolecularWeight: 379.2405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN2C(=NNC2=S)C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C16H11Cl2N3O2S/c17-11-4-5-12(13(18)7-11)14-19-20-16(24)21(14)8-9-2-1-3-10(6-9)15(22)23/h1-7H,8H2,(H,20,24)(H,22,23)/p-1