4-[[5-(4-methylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[5-(4-methylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[4-benzyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(4-methylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate IUPAC Name: 4-[[4-benzyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-benzyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzoate Formula: C24H20N3O2S- MolecularWeight: 414.4995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C24H21N3O2S/c1-17-7-11-20(12-8-17)22-25-26-24(27(22)15-18-5-3-2-4-6-18)30-16-19-9-13-21(14-10-19)23(28)29/h2-14H,15-16H2,1H3,(H,28,29)/p-1