2-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide CAS Name: N-[1-(4-methylsulfonylphenyl)ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: 2-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-3-carboxamide Traditional Name: N-[1-(4-mesylphenyl)ethyl]-2-(methylthio)nicotinamide Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C16H18N2O3S2/c1-11(12-6-8-13(9-7-12)23(3,20)21)18-15(19)14-5-4-10-17-16(14)22-2/h4-11H,1-3H3,(H,18,19)