N-(prop-2-enylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(prop-2-enylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(allylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[oxo-(prop-2-enylamino)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(prop-2-enylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(allylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H14N6O2S MolecularWeight: 318.35426

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

C=CCNC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C13H14N6O2S/c1-2-5-15-12(21)16-10(20)8-22-13-17-11(18-19-13)9-3-6-14-7-4-9/h2-4,6-7H,1,5,8H2,(H,17,18,19)(H2,15,16,20,21)