3-bromanyl-N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]benzamide

Systemtic Name: 3-bromanyl-N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]benzamide Openeye Name: 3-bromo-N-[(E)-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]methyleneamino]benzamide CAS Name: 3-bromo-N-[(E)-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]methylideneamino]benzamide IUPAC Name: 3-bromo-N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]benzamide Traditional Name: 3-bromo-N-[(E)-[4-methoxy-3-[(2-pyridylthio)methyl]benzylidene]amino]benzamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3O2S/c1-27-19-9-8-15(11-17(19)14-28-20-7-2-3-10-23-20)13-24-25-21(26)16-5-4-6-18(22)12-16/h2-13H,14H2,1H3,(H,25,26)/b24-13+