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

Systemtic Name: ethyl (2S)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl (2S)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: (2S)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: (2S)-2-phenyl-2-[(4-phenyl-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=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-2-23-17(22)16(14-9-5-3-6-10-14)24-18-20-19-13-21(18)15-11-7-4-8-12-15/h3-13,16H,2H2,1H3/t16-/m0/s1