3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid Formula: C17H14ClN3O2S MolecularWeight: 359.82996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3O2S/c1-21-15(12-5-7-14(18)8-6-12)19-20-17(21)24-10-11-3-2-4-13(9-11)16(22)23/h2-9H,10H2,1H3,(H,22,23)