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

Systemtic Name: N,N-diethyl-3-(3-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N,N-diethyl-3-(3-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N,N-diethyl-3-(3-fluorophenyl)-2-[(3-nitrophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N,N-diethyl-3-(3-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N,N-diethyl-3-(3-fluorophenyl)-4-keto-2-[(3-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C26H23FN4O4S MolecularWeight: 506.548623

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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)F

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)F

InChI

InChI=1S/C26H23FN4O4S/c1-3-29(4-2)24(32)18-11-12-22-23(14-18)28-26(30(25(22)33)20-9-6-8-19(27)15-20)36-16-17-7-5-10-21(13-17)31(34)35/h5-15H,3-4,16H2,1-2H3