6,7-dimethoxy-2-[(4-nitrophenyl)methylsulfanyl]-3-octyl-quinazolin-4-imine

Systemtic Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methylsulfanyl]-3-octyl-quinazolin-4-imine Openeye Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methylsulfanyl]-3-octyl-quinazolin-4-imine CAS Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methylthio]-3-octyl-4-quinazolinimine IUPAC Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methylsulfanyl]-3-octylquinazolin-4-imine Traditional Name: [6,7-dimethoxy-2-[(4-nitrobenzyl)thio]-3-octyl-quinazolin-4-ylidene]amine Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CCCCCCCCN1C(=N)C2=CC(=C(C=C2N=C1SCC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C25H32N4O4S/c1-4-5-6-7-8-9-14-28-24(26)20-15-22(32-2)23(33-3)16-21(20)27-25(28)34-17-18-10-12-19(13-11-18)29(30)31/h10-13,15-16,26H,4-9,14,17H2,1-3H3