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

Systemtic Name: ethyl (2S)-2-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl (2S)-2-phenyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: (2S)-2-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-phenyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: (2S)-2-phenyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H15N3O2S2 MolecularWeight: 345.4392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H15N3O2S2/c1-2-21-15(20)13(11-7-4-3-5-8-11)23-16-17-14(18-19-16)12-9-6-10-22-12/h3-10,13H,2H2,1H3,(H,17,18,19)/t13-/m0/s1