(2S)-1-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one

Systemtic Name: (2S)-1-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Openeye Name: (2S)-1-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one CAS Name: (2S)-1-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)-1-propanone IUPAC Name: (2S)-1-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propan-1-one Traditional Name: (2S)-1-p-phenetyl-2-(1H-1,2,4-triazol-5-ylthio)propan-1-one Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NC=NN2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC=NN2

InChI

InChI=1S/C13H15N3O2S/c1-3-18-11-6-4-10(5-7-11)12(17)9(2)19-13-14-8-15-16-13/h4-9H,3H2,1-2H3,(H,14,15,16)/t9-/m0/s1