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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-])Cl

InChI

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