N-[(E)-[2-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylideneamino]pyridine-4-carboxamide

Systemtic Name: N-[(E)-[2-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylideneamino]pyridine-4-carboxamide Openeye Name: N-[(E)-[2-[2-(p-tolylsulfanyl)ethoxy]phenyl]methyleneamino]pyridine-4-carboxamide CAS Name: N-[(E)-[2-[2-[(4-methylphenyl)thio]ethoxy]phenyl]methylideneamino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-[2-[2-(4-methylphenyl)sulfanylethoxy]phenyl]methylideneamino]pyridine-4-carboxamide Traditional Name: N-[(E)-[2-[2-(p-tolylthio)ethoxy]benzylidene]amino]isonicotinamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCOC2=CC=CC=C2C=NNC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCOC2=CC=CC=C2/C=N/NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C22H21N3O2S/c1-17-6-8-20(9-7-17)28-15-14-27-21-5-3-2-4-19(21)16-24-25-22(26)18-10-12-23-13-11-18/h2-13,16H,14-15H2,1H3,(H,25,26)/b24-16+