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

Systemtic Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[[4-(4-ethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[[4-(4-ethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(isoamylcarbamoyl)acetamide Formula: C23H28N6O2S MolecularWeight: 452.57242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NCCC(C)C)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC(=O)NCCC(C)C)C3=CC=NC=C3

InChI

InChI=1S/C23H28N6O2S/c1-4-17-5-7-19(8-6-17)29-21(18-10-12-24-13-11-18)27-28-23(29)32-15-20(30)26-22(31)25-14-9-16(2)3/h5-8,10-13,16H,4,9,14-15H2,1-3H3,(H2,25,26,30,31)