6-bromanyl-N-[(E)-[4-(4-methylphenyl)sulfonyl-3-nitro-phenyl]methylideneamino]-4-phenyl-quinazolin-2-amine

Systemtic Name: 6-bromanyl-N-[(E)-[4-(4-methylphenyl)sulfonyl-3-nitro-phenyl]methylideneamino]-4-phenyl-quinazolin-2-amine Openeye Name: 6-bromo-N-[(E)-[3-nitro-4-(p-tolylsulfonyl)phenyl]methyleneamino]-4-phenyl-quinazolin-2-amine CAS Name: 6-bromo-N-[(E)-[4-(4-methylphenyl)sulfonyl-3-nitrophenyl]methylideneamino]-4-phenyl-2-quinazolinamine IUPAC Name: 6-bromo-N-[(E)-[4-(4-methylphenyl)sulfonyl-3-nitrophenyl]methylideneamino]-4-phenylquinazolin-2-amine Traditional Name: (6-bromo-4-phenyl-quinazolin-2-yl)-[(E)-(3-nitro-4-tosyl-benzylidene)amino]amine Formula: C28H20BrN5O4S MolecularWeight: 602.4585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C=NNC3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)/C=N/NC3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H20BrN5O4S/c1-18-7-11-22(12-8-18)39(37,38)26-14-9-19(15-25(26)34(35)36)17-30-33-28-31-24-13-10-21(29)16-23(24)27(32-28)20-5-3-2-4-6-20/h2-17H,1H3,(H,31,32,33)/b30-17+