2-propan-2-ylsulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-propan-2-ylsulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-isopropylsulfanyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyridine-3-carboxamide CAS Name: 2-(propan-2-ylthio)-N-[3-(2-thiophen-2-ylethynyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-propan-2-ylsulfanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-(isopropylthio)-N-[3-[2-(2-thienyl)ethynyl]phenyl]nicotinamide Formula: C21H18N2OS2 MolecularWeight: 378.51042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

InChI=1S/C21H18N2OS2/c1-15(2)26-21-19(9-4-12-22-21)20(24)23-17-7-3-6-16(14-17)10-11-18-8-5-13-25-18/h3-9,12-15H,1-2H3,(H,23,24)