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

Systemtic Name: ethyl (2R)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (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-phenylacetic acid ethyl ester IUPAC Name: ethyl (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-acetic acid ethyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)OCC)C3=CC(=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-4-24-19(17-13-9-10-15(3)14-17)22-23-21(24)27-18(20(25)26-5-2)16-11-7-6-8-12-16/h6-14,18H,4-5H2,1-3H3/t18-/m1/s1