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

Systemtic Name: N-(tert-butylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(tert-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:

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

Isomeric SMILES

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

InChI

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