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

Systemtic Name: propan-2-yl 2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-allyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)OC(C)C

InChI

InChI=1S/C17H21N3O2S/c1-5-10-20-16(14-8-6-13(4)7-9-14)18-19-17(20)23-11-15(21)22-12(2)3/h5-9,12H,1,10-11H2,2-4H3