N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: 2-methylsulfanyl-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]pyridine-3-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[2-(2-thienyl)-2-tosyl-ethyl]nicotinamide Formula: C20H20N2O3S3 MolecularWeight: 432.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=C(N=CC=C2)SC)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C2=C(N=CC=C2)SC)C3=CC=CS3

InChI

InChI=1S/C20H20N2O3S3/c1-14-7-9-15(10-8-14)28(24,25)18(17-6-4-12-27-17)13-22-19(23)16-5-3-11-21-20(16)26-2/h3-12,18H,13H2,1-2H3,(H,22,23)