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

Systemtic Name: (2S)-N-(2,4-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: (2S)-N-(2,4-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: (2S)-N-(2,4-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: (2S)-N-(2,4-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: (2S)-N-(2,4-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NC=NN2)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NC=NN2)C

InChI

InChI=1S/C13H16N4OS/c1-8-4-5-11(9(2)6-8)16-12(18)10(3)19-13-14-7-15-17-13/h4-7,10H,1-3H3,(H,16,18)(H,14,15,17)/t10-/m0/s1