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

Systemtic Name: ethyl (2S)-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H18ClN3O3S/c1-3-26-18(24)16(12-7-5-4-6-8-12)27-19-21-17(22-23-19)14-11-13(20)9-10-15(14)25-2/h4-11,16H,3H2,1-2H3,(H,21,22,23)/t16-/m0/s1