2-(4-methylphenyl)sulfanyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide Openeye Name: N-(3-isobutoxypropyl)-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: 2-[(4-methylphenyl)thio]-N-[3-(2-methylpropoxy)propyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[3-(2-methylpropoxy)propyl]pyridine-3-carboxamide Traditional Name: N-(3-isobutoxypropyl)-2-(p-tolylthio)nicotinamide Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCCOCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCCOCC(C)C

InChI

InChI=1S/C20H26N2O2S/c1-15(2)14-24-13-5-12-21-19(23)18-6-4-11-22-20(18)25-17-9-7-16(3)8-10-17/h4,6-11,15H,5,12-14H2,1-3H3,(H,21,23)