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

Systemtic Name: ethyl (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetate CAS Name: (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetate Traditional Name: (2R)-2-[(4-ethyl-5-phenyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-3-23-18(16-13-9-6-10-14-16)21-22-20(23)26-17(19(24)25-4-2)15-11-7-5-8-12-15/h5-14,17H,3-4H2,1-2H3/t17-/m1/s1