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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2S[C@H](C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C19H19N3O2S/c1-13-8-7-11-16(12-13)22-14(2)20-21-19(22)25-17(18(23)24-3)15-9-5-4-6-10-15/h4-12,17H,1-3H3/t17-/m1/s1