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

Systemtic Name: ethyl (2S)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=CC=C3C

InChI

InChI=1S/C20H21N3O2S/c1-4-25-19(24)17(15-11-6-5-7-12-15)26-20-22-21-18(23(20)3)16-13-9-8-10-14(16)2/h5-13,17H,4H2,1-3H3/t17-/m0/s1