propan-2-yl 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)OC(C)C

InChI

InChI=1S/C14H17N3O2S/c1-9(2)19-12(18)8-20-14-15-13(16-17-14)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,16,17)