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

Systemtic Name: (2R)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: (2R)-2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2R)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-phenylacetate IUPAC Name: (2R)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate Traditional Name: (2R)-2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetate Formula: C19H18N3O2S- MolecularWeight: 352.43012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)[O-])C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C2=CC=CC=C2)C(=O)[O-])C3=CC(=CC=C3)C

InChI

InChI=1S/C19H19N3O2S/c1-3-22-17(15-11-7-8-13(2)12-15)20-21-19(22)25-16(18(23)24)14-9-5-4-6-10-14/h4-12,16H,3H2,1-2H3,(H,23,24)/p-1/t16-/m1/s1