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

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C13H16N6O2S MolecularWeight: 320.37014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N6O2S/c1-3-15-12(21)17-11(20)8(2)22-13-16-10(18-19-13)9-4-6-14-7-5-9/h4-8H,3H2,1-2H3,(H,16,18,19)(H2,15,17,20,21)/t8-/m0/s1