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

Systemtic Name: N,N-diethyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: N,N-diethyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: N,N-diethyl-2-[(3-nitrophenyl)methylthio]-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N,N-diethyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: N,N-diethyl-4-keto-2-[(3-nitrobenzyl)thio]-3-phenyl-quinazoline-7-carboxamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H24N4O4S/c1-3-28(4-2)24(31)19-13-14-22-23(16-19)27-26(29(25(22)32)20-10-6-5-7-11-20)35-17-18-9-8-12-21(15-18)30(33)34/h5-16H,3-4,17H2,1-2H3