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

Systemtic Name: 4-[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-phenyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid IUPAC Name: 4-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C23H19N3O2S MolecularWeight: 401.48086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O2S/c27-22(28)20-13-11-18(12-14-20)16-29-23-25-24-21(19-9-5-2-6-10-19)26(23)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,27,28)