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

Systemtic Name: ethyl (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H21N3O2S/c1-2-26-20(25)18(15-9-5-3-6-10-15)27-21-23-22-19(16-13-14-16)24(21)17-11-7-4-8-12-17/h3-12,16,18H,2,13-14H2,1H3/t18-/m0/s1