2-methylsulfanyl-N-pentan-2-yl-pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-pentan-2-yl-pyridine-3-carboxamide Openeye Name: N-(1-methylbutyl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-pentan-2-yl-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-pentan-2-ylpyridine-3-carboxamide Traditional Name: N-(1-methylbutyl)-2-(methylthio)nicotinamide Formula: C12H18N2OS MolecularWeight: 238.34912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=C(N=CC=C1)SC

Isomeric SMILES

CCCC(C)NC(=O)C1=C(N=CC=C1)SC

InChI

InChI=1S/C12H18N2OS/c1-4-6-9(2)14-11(15)10-7-5-8-13-12(10)16-3/h5,7-9H,4,6H2,1-3H3,(H,14,15)