N-[(4-bromophenyl)methoxy]-1-(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)ethanimine

Systemtic Name: N-[(4-bromophenyl)methoxy]-1-(3-nitro-4-pyridin-2-ylsulfanyl-phenyl)ethanimine Openeye Name: N-[(4-bromophenyl)methoxy]-1-[3-nitro-4-(2-pyridylsulfanyl)phenyl]ethanimine CAS Name: N-[(4-bromophenyl)methoxy]-1-[3-nitro-4-(2-pyridinylthio)phenyl]ethanimine IUPAC Name: N-[(4-bromophenyl)methoxy]-1-(3-nitro-4-pyridin-2-ylsulfanylphenyl)ethanimine Traditional Name: (E)-(4-bromobenzyl)oxy-[1-[3-nitro-4-(2-pyridylthio)phenyl]ethylidene]amine Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOCC1=CC=C(C=C1)Br)C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\OCC1=CC=C(C=C1)Br)/C2=CC(=C(C=C2)SC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H16BrN3O3S/c1-14(23-27-13-15-5-8-17(21)9-6-15)16-7-10-19(18(12-16)24(25)26)28-20-4-2-3-11-22-20/h2-12H,13H2,1H3/b23-14+