N-[2,6-di(propan-2-yl)phenyl]-2-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 2-benzylsulfanyl-N-(2,6-diisopropylphenyl)pyridine-3-carboxamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-[2,6-di(propan-2-yl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(benzylthio)-N-(2,6-diisopropylphenyl)nicotinamide Formula: C25H28N2OS MolecularWeight: 404.56762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2OS/c1-17(2)20-12-8-13-21(18(3)4)23(20)27-24(28)22-14-9-15-26-25(22)29-16-19-10-6-5-7-11-19/h5-15,17-18H,16H2,1-4H3,(H,27,28)