(2S)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-propanamide Openeye Name: (2S)-N-propyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-propylpropanamide IUPAC Name: (2S)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-propylpropanamide Traditional Name: (2S)-N-propyl-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NNC(=N1)C2=CC=C(C=C2)C

Isomeric SMILES

CCCNC(=O)[C@H](C)SC1=NNC(=N1)C2=CC=C(C=C2)C

InChI

InChI=1S/C15H20N4OS/c1-4-9-16-14(20)11(3)21-15-17-13(18-19-15)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3,(H,16,20)(H,17,18,19)/t11-/m0/s1