2-[3-(4-methylsulfanylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide

Systemtic Name: 2-[3-(4-methylsulfanylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Openeye Name: 2-[3-(4-methylsulfanylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-2-[3-[4-(methylthio)phenyl]prop-1-ynyl]-4-pyridinecarboxamide IUPAC Name: 2-[3-(4-methylsulfanylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Traditional Name: N-(4-mesylbenzyl)-2-[3-[4-(methylthio)phenyl]prop-1-ynyl]isonicotinamide Formula: C24H22N2O3S2 MolecularWeight: 450.57308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC#CC2=NC=CC(=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)CC#CC2=NC=CC(=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C24H22N2O3S2/c1-30-22-10-6-18(7-11-22)4-3-5-21-16-20(14-15-25-21)24(27)26-17-19-8-12-23(13-9-19)31(2,28)29/h6-16H,4,17H2,1-2H3,(H,26,27)