2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methylbutyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methylbutyl)pyridine-3-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-isopentyl-pyridine-3-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-N-(3-methylbutyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methylbutyl)pyridine-3-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-N-isoamyl-nicotinamide Formula: C18H21ClN2OS MolecularWeight: 348.89014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)CCNC(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2Cl

InChI

InChI=1S/C18H21ClN2OS/c1-13(2)9-11-20-17(22)15-7-5-10-21-18(15)23-12-14-6-3-4-8-16(14)19/h3-8,10,13H,9,11-12H2,1-2H3,(H,20,22)