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

Systemtic Name: 4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-21-16(11-13-5-3-2-4-6-13)19-20-18(21)24-12-14-7-9-15(10-8-14)17(22)23/h2-10H,11-12H2,1H3,(H,22,23)