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

Systemtic Name: (2S)-N-propyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-propyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-propyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-propyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-propyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N5OS/c1-3-6-15-12(19)9(2)20-13-16-11(17-18-13)10-4-7-14-8-5-10/h4-5,7-9H,3,6H2,1-2H3,(H,15,19)(H,16,17,18)/t9-/m0/s1