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

Systemtic Name: 2-bromanyl-N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]benzamide Openeye Name: 2-bromo-N-[(E)-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]methyleneamino]benzamide CAS Name: 2-bromo-N-[(E)-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]methylideneamino]benzamide IUPAC Name: 2-bromo-N-[(E)-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]methylideneamino]benzamide Traditional Name: 2-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=C2Br)CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2Br)CSC3=CC=CC=N3

InChI

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