(2S)-N-[(2S)-2-phenylbutyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-[(2S)-2-phenylbutyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Openeye Name: (2S)-N-[(2S)-2-phenylbutyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide CAS Name: (2S)-N-[(2S)-2-phenylbutyl]-2-(1H-1,2,4-triazol-5-ylthio)propanamide IUPAC Name: (2S)-N-[(2S)-2-phenylbutyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide Traditional Name: (2S)-N-[(2S)-2-phenylbutyl]-2-(1H-1,2,4-triazol-5-ylthio)propionamide Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)SC1=NC=NN1)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)SC1=NC=NN1)C2=CC=CC=C2

InChI

InChI=1S/C15H20N4OS/c1-3-12(13-7-5-4-6-8-13)9-16-14(20)11(2)21-15-17-10-18-19-15/h4-8,10-12H,3,9H2,1-2H3,(H,16,20)(H,17,18,19)/t11-,12+/m0/s1