N-[3,4-bis(fluoranyl)phenyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-(3,4-difluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine CAS Name: N-(3,4-difluorophenyl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinamine IUPAC Name: N-(3,4-difluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Traditional Name: (3,4-difluorophenyl)-[2-[(3-nitrobenzyl)thio]quinazolin-4-yl]amine Formula: C21H14F2N4O2S MolecularWeight: 424.423266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])NC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])NC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C21H14F2N4O2S/c22-17-9-8-14(11-18(17)23)24-20-16-6-1-2-7-19(16)25-21(26-20)30-12-13-4-3-5-15(10-13)27(28)29/h1-11H,12H2,(H,24,25,26)