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

Systemtic Name: N-(butylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C14H18N6O2S MolecularWeight: 334.39672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C14H18N6O2S/c1-2-3-6-16-13(22)17-11(21)9-23-14-18-12(19-20-14)10-4-7-15-8-5-10/h4-5,7-8H,2-3,6,9H2,1H3,(H,18,19,20)(H2,16,17,21,22)