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

Systemtic Name: methyl (2S)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c1-22-16(21)15(13-8-4-2-5-9-13)23-17-19-18-12-20(17)14-10-6-3-7-11-14/h2-12,15H,1H3/t15-/m0/s1