N-(2-cyclopentylpyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinamide Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H22N4O3S/c27-21(25-20-9-11-24-26(20)15-4-1-2-5-15)17-6-3-10-23-22(17)30-16-7-8-18-19(14-16)29-13-12-28-18/h3,6-11,14-15H,1-2,4-5,12-13H2,(H,25,27)