ethyl (2S)-2-phenyl-2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanoate

Systemtic Name: ethyl (2S)-2-phenyl-2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanoate Openeye Name: ethyl (2S)-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetate CAS Name: (2S)-2-phenyl-2-(2H-triazol-4-ylthio)acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-phenyl-2-(2H-triazol-4-ylsulfanyl)acetate Traditional Name: (2S)-2-phenyl-2-(2H-triazol-4-ylthio)acetic acid ethyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NNN=C2

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NNN=C2

InChI

InChI=1S/C12H13N3O2S/c1-2-17-12(16)11(9-6-4-3-5-7-9)18-10-8-13-15-14-10/h3-8,11H,2H2,1H3,(H,13,14,15)/t11-/m0/s1