2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide Openeye Name: 2-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-indan-5-yl-pyridine-3-carboxamide CAS Name: 2-[(2-acetamido-4-pyridinyl)methylthio]-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide Traditional Name: 2-[(2-acetamido-4-pyridyl)methylthio]-N-indan-5-yl-nicotinamide Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C23H22N4O2S/c1-15(28)26-21-12-16(9-11-24-21)14-30-23-20(6-3-10-25-23)22(29)27-19-8-7-17-4-2-5-18(17)13-19/h3,6-13H,2,4-5,14H2,1H3,(H,27,29)(H,24,26,28)