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

Systemtic Name: N-(butylcarbamoyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H22N6O2S MolecularWeight: 374.46058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3

InChI

InChI=1S/C17H22N6O2S/c1-2-3-8-19-16(25)20-14(24)11-26-17-22-21-15(23(17)13-4-5-13)12-6-9-18-10-7-12/h6-7,9-10,13H,2-5,8,11H2,1H3,(H2,19,20,24,25)