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

Systemtic Name: propan-2-yl 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)OC(C)C

InChI

InChI=1S/C20H21N3O2S/c1-14(2)25-18(24)13-26-20-22-21-19(16-11-9-15(3)10-12-16)23(20)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3