7-nitro-3-[4-[[4-(7-nitro-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]methyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-nitro-3-[4-[[4-(7-nitro-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]methyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-nitro-3-[4-[[4-(7-nitro-4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]methyl]phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-nitro-3-[4-[[4-(7-nitro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]methyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-nitro-3-[4-[[4-(7-nitro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]methyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[4-(4-keto-7-nitro-2-thioxo-1H-quinazolin-3-yl)benzyl]phenyl]-7-nitro-2-thioxo-1H-quinazolin-4-one Formula: C29H18N6O6S2 MolecularWeight: 610.61982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])NC3=S)N5C(=O)C6=C(C=C(C=C6)[N+](=O)[O-])NC5=S

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])NC3=S)N5C(=O)C6=C(C=C(C=C6)[N+](=O)[O-])NC5=S

InChI

InChI=1S/C29H18N6O6S2/c36-26-22-11-9-20(34(38)39)14-24(22)30-28(42)32(26)18-5-1-16(2-6-18)13-17-3-7-19(8-4-17)33-27(37)23-12-10-21(35(40)41)15-25(23)31-29(33)43/h1-12,14-15H,13H2,(H,30,42)(H,31,43)