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

Systemtic Name: methyl 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C19H19N3O2S/c1-13-7-9-15(10-8-13)17-20-21-19(22(17)2)25-12-14-5-4-6-16(11-14)18(23)24-3/h4-11H,12H2,1-3H3