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

Systemtic Name: (2S)-N-ethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-ethyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-ethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-ethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-ethyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C12H15N5OS MolecularWeight: 277.3454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5OS/c1-3-14-11(18)8(2)19-12-15-10(16-17-12)9-4-6-13-7-5-9/h4-8H,3H2,1-2H3,(H,14,18)(H,15,16,17)/t8-/m0/s1