N-(2-methylpropyl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-methylpropyl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-isobutyl-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-(2-methylpropyl)-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-methylpropyl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-isobutyl-2-(phenylthio)nicotinamide Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C16H18N2OS/c1-12(2)11-18-15(19)14-9-6-10-17-16(14)20-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3,(H,18,19)