2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[2-(p-tolylsulfonyl)ethylsulfanyl]-N-(2-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-[2-(4-methylphenyl)sulfonylethylthio]-N-(2-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide Traditional Name: N-(2-pyridylmethyl)-2-(2-tosylethylthio)nicotinamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C21H21N3O3S2/c1-16-7-9-18(10-8-16)29(26,27)14-13-28-21-19(6-4-12-23-21)20(25)24-15-17-5-2-3-11-22-17/h2-12H,13-15H2,1H3,(H,24,25)