N-(3-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide

Systemtic Name: N-(3-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N-(3-chlorophenyl)-4-keto-2-[(3-nitrobenzyl)thio]-3-phenyl-quinazoline-7-carboxamide Formula: C28H19ClN4O4S MolecularWeight: 542.99286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H19ClN4O4S/c29-20-7-5-8-21(16-20)30-26(34)19-12-13-24-25(15-19)31-28(32(27(24)35)22-9-2-1-3-10-22)38-17-18-6-4-11-23(14-18)33(36)37/h1-16H,17H2,(H,30,34)