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

Systemtic Name: ethyl (2S)-2-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl (2S)-2-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: (2S)-2-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: (2S)-2-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O2S/c1-2-23-17(22)15(13-9-5-3-6-10-13)24-18-19-16(20-21-18)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3,(H,19,20,21)/t15-/m0/s1