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

Systemtic Name: ethyl (2S)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C24H21N3O2S MolecularWeight: 415.50744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2S/c1-2-29-23(28)21(18-12-6-3-7-13-18)30-24-26-25-22(19-14-8-4-9-15-19)27(24)20-16-10-5-11-17-20/h3-17,21H,2H2,1H3/t21-/m0/s1