N-(2,2-dimethylpropyl)-2-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(2,2-dimethylpropyl)-2-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: 2-benzylsulfanyl-N-(2,2-dimethylpropyl)pyridine-3-carboxamide CAS Name: N-(2,2-dimethylpropyl)-2-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-(2,2-dimethylpropyl)pyridine-3-carboxamide Traditional Name: 2-(benzylthio)-N-neopentyl-nicotinamide Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CNC(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2OS/c1-18(2,3)13-20-16(21)15-10-7-11-19-17(15)22-12-14-8-5-4-6-9-14/h4-11H,12-13H2,1-3H3,(H,20,21)