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

Systemtic Name: 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[2-(p-tolylsulfonyl)ethylsulfanyl]-N-(4-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-[2-(4-methylphenyl)sulfonylethylthio]-N-(pyridin-4-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide Traditional Name: N-(4-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=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)NCC3=CC=NC=C3

InChI

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