N-(1,3-benzodioxol-5-yl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[2-[(3-nitrobenzyl)thio]quinazolin-4-yl]amine Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4S/c27-26(28)16-5-3-4-14(10-16)12-31-22-24-18-7-2-1-6-17(18)21(25-22)23-15-8-9-19-20(11-15)30-13-29-19/h1-11H,12-13H2,(H,23,24,25)