(2R)-N-(4-ethanoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(4-ethanoylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC=NN2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC=NN2

InChI

InChI=1S/C13H14N4O2S/c1-8(18)10-3-5-11(6-4-10)16-12(19)9(2)20-13-14-7-15-17-13/h3-7,9H,1-2H3,(H,16,19)(H,14,15,17)/t9-/m1/s1