1-(3-nitro-4-quinolin-5-ylsulfanyl-phenyl)-N-(4-octoxyphenyl)methanimine

Systemtic Name: 1-(3-nitro-4-quinolin-5-ylsulfanyl-phenyl)-N-(4-octoxyphenyl)methanimine Openeye Name: 1-[3-nitro-4-(5-quinolylsulfanyl)phenyl]-N-(4-octoxyphenyl)methanimine CAS Name: 1-[3-nitro-4-(5-quinolinylthio)phenyl]-N-(4-octoxyphenyl)methanimine IUPAC Name: 1-(3-nitro-4-quinolin-5-ylsulfanylphenyl)-N-(4-octoxyphenyl)methanimine Traditional Name: [3-nitro-4-(5-quinolylthio)benzylidene]-(4-octoxyphenyl)amine Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)SC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)SC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C30H31N3O3S/c1-2-3-4-5-6-7-20-36-25-16-14-24(15-17-25)32-22-23-13-18-30(28(21-23)33(34)35)37-29-12-8-11-27-26(29)10-9-19-31-27/h8-19,21-22H,2-7,20H2,1H3