(2S)-N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: (2S)-N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: (2S)-N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: (2S)-N-(4-ethoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: (2S)-N-p-phenetyl-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2S/c1-3-19-11-6-4-10(5-7-11)16-12(18)9(2)20-13-14-8-15-17-13/h4-9H,3H2,1-2H3,(H,16,18)(H,14,15,17)/t9-/m0/s1