1-(2-chlorophenyl)-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(2-chlorophenyl)-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-chlorophenyl)-5-(phenylsulfanylmethyl)triazole-4-carboxylic acid CAS Name: 1-(2-chlorophenyl)-5-[(phenylthio)methyl]-4-triazolecarboxylic acid IUPAC Name: 1-(2-chlorophenyl)-5-(phenylsulfanylmethyl)triazole-4-carboxylic acid Traditional Name: 1-(2-chlorophenyl)-5-[(phenylthio)methyl]triazole-4-carboxylic acid Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=C(N=NN2C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC2=C(N=NN2C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C16H12ClN3O2S/c17-12-8-4-5-9-13(12)20-14(15(16(21)22)18-19-20)10-23-11-6-2-1-3-7-11/h1-9H,10H2,(H,21,22)