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

Systemtic Name: ethyl (2S)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-phenyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: (2S)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-phenyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NNC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NNC(=N2)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H19N3O2S/c1-3-24-18(23)16(14-7-5-4-6-8-14)25-19-20-17(21-22-19)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3,(H,20,21,22)/t16-/m0/s1