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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-14-8-6-7-11-16(14)17-20-21-19(22(17)2)25-13-12-24-18(23)15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3