(2S)-1-(4-ethoxyphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethoxyphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-ethoxyphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(4-ethoxyphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethoxyphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-p-phenetyl-propan-1-one Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-3-24-16-11-9-14(10-12-16)17(23)13(2)25-19-20-18(21-22-19)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,20,21,22)/t13-/m0/s1