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

Systemtic Name: N-methyl-N-[(3-methylphenyl)methyl]-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carboxamide Openeye Name: N-methyl-N-(m-tolylmethyl)-2-[2-(p-tolylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide CAS Name: N-methyl-N-[(3-methylphenyl)methyl]-2-[2-(4-methylphenyl)sulfonylethylthio]-3-pyridinecarboxamide IUPAC Name: N-methyl-N-[(3-methylphenyl)methyl]-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carboxamide Traditional Name: N-methyl-N-(3-methylbenzyl)-2-(2-tosylethylthio)nicotinamide Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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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)N(C)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C=CC=N2)C(=O)N(C)CC3=CC=CC(=C3)C

InChI

InChI=1S/C24H26N2O3S2/c1-18-9-11-21(12-10-18)31(28,29)15-14-30-23-22(8-5-13-25-23)24(27)26(3)17-20-7-4-6-19(2)16-20/h4-13,16H,14-15,17H2,1-3H3