1-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-(2-nitro-5-propylsulfanyl-phenyl)methanimine

Systemtic Name: 1-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-(2-nitro-5-propylsulfanyl-phenyl)methanimine Openeye Name: 1-(4-isopentyloxy-3-methoxy-phenyl)-N-(2-nitro-5-propylsulfanyl-phenyl)methanimine CAS Name: 1-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-[2-nitro-5-(propylthio)phenyl]methanimine IUPAC Name: 1-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-(2-nitro-5-propylsulfanylphenyl)methanimine Traditional Name: (4-isoamoxy-3-methoxy-benzylidene)-[2-nitro-5-(propylthio)phenyl]amine Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=CC2=CC(=C(C=C2)OCCC(C)C)OC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])N=CC2=CC(=C(C=C2)OCCC(C)C)OC

InChI

InChI=1S/C22H28N2O4S/c1-5-12-29-18-7-8-20(24(25)26)19(14-18)23-15-17-6-9-21(22(13-17)27-4)28-11-10-16(2)3/h6-9,13-16H,5,10-12H2,1-4H3