N-(4-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine

Systemtic Name: N-(4-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-(4-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine CAS Name: N-(4-fluorophenyl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinamine IUPAC Name: N-(4-fluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Traditional Name: (4-fluorophenyl)-[2-[(3-nitrobenzyl)thio]quinazolin-4-yl]amine Formula: C21H15FN4O2S MolecularWeight: 406.432803

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H15FN4O2S/c22-15-8-10-16(11-9-15)23-20-18-6-1-2-7-19(18)24-21(25-20)29-13-14-4-3-5-17(12-14)26(27)28/h1-12H,13H2,(H,23,24,25)