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

Systemtic Name: methyl 4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O2S/c1-13-5-3-4-6-16(13)21-12-19-20-18(21)24-11-14-7-9-15(10-8-14)17(22)23-2/h3-10,12H,11H2,1-2H3