N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide

Systemtic Name: N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide Openeye Name: N-[(E)-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]methyleneamino]pyridine-3-carboxamide CAS Name: N-[(E)-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]methylideneamino]-3-pyridinecarboxamide IUPAC Name: N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide Traditional Name: N-[(E)-[4-methoxy-3-[(2-pyridylthio)methyl]benzylidene]amino]nicotinamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=CN=CC=C2)CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CN=CC=C2)CSC3=CC=CC=N3

InChI

InChI=1S/C20H18N4O2S/c1-26-18-8-7-15(11-17(18)14-27-19-6-2-3-10-22-19)12-23-24-20(25)16-5-4-9-21-13-16/h2-13H,14H2,1H3,(H,24,25)/b23-12+