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

Systemtic Name: (2S)-2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide Openeye Name: (2S)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide CAS Name: (2S)-2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide Traditional Name: (2S)-2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-propionamide Formula: C12H16N6OS MolecularWeight: 292.36004

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NN=C(N1N)C2=CN=CC=C2

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NN=C(N1N)C2=CN=CC=C2

InChI

InChI=1S/C12H16N6OS/c1-3-15-11(19)8(2)20-12-17-16-10(18(12)13)9-5-4-6-14-7-9/h4-8H,3,13H2,1-2H3,(H,15,19)/t8-/m0/s1