2-(4-methylphenyl)sulfanyl-N-phenethyl-pyridine-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-phenethyl-pyridine-3-carboxamide Openeye Name: N-phenethyl-2-(p-tolylsulfanyl)pyridine-3-carboxamide CAS Name: 2-[(4-methylphenyl)thio]-N-phenethyl-3-pyridinecarboxamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-phenethylpyridine-3-carboxamide Traditional Name: N-phenethyl-2-(p-tolylthio)nicotinamide Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2OS/c1-16-9-11-18(12-10-16)25-21-19(8-5-14-23-21)20(24)22-15-13-17-6-3-2-4-7-17/h2-12,14H,13,15H2,1H3,(H,22,24)