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

Systemtic Name: ethyl (2S)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C18H18N4O2S/c1-3-24-17(23)15(13-7-5-4-6-8-13)25-18-21-20-16(22(18)2)14-9-11-19-12-10-14/h4-12,15H,3H2,1-2H3/t15-/m0/s1