2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(E)-(3-nitrophenyl)methyleneamino]acetamide CAS Name: 2-[[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]thio]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]thio]-N-[(E)-(3-nitrobenzylidene)amino]acetamide Formula: C23H16BrN5O4S MolecularWeight: 538.37324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H16BrN5O4S/c24-16-8-10-17(11-9-16)28-22(31)19-6-1-2-7-20(19)26-23(28)34-14-21(30)27-25-13-15-4-3-5-18(12-15)29(32)33/h1-13H,14H2,(H,27,30)/b25-13+