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

Systemtic Name: 2-[3-(3-methylsulfanylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Openeye Name: 2-[3-(3-methylsulfanylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide CAS Name: N-[(4-methylsulfonylphenyl)methyl]-2-[3-[3-(methylthio)phenyl]prop-1-ynyl]-4-pyridinecarboxamide IUPAC Name: 2-[3-(3-methylsulfanylphenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide Traditional Name: N-(4-mesylbenzyl)-2-[3-[3-(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=CC(=C1)CC#CC2=NC=CC(=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O3S2/c1-30-22-8-4-6-18(15-22)5-3-7-21-16-20(13-14-25-21)24(27)26-17-19-9-11-23(12-10-19)31(2,28)29/h4,6,8-16H,5,17H2,1-2H3,(H,26,27)