N-[(5-methylfuran-2-yl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(5-methyl-2-furyl)methyl]pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-[(5-methyl-2-furanyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-[(5-methyl-2-furyl)methyl]nicotinamide Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S2/c1-15-9-10-16(26-15)14-22-19(23)18-8-5-11-21-20(18)27-12-13-28(24,25)17-6-3-2-4-7-17/h2-11H,12-14H2,1H3,(H,22,23)