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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-N-(phenylmethyl)quinazolin-4-amine Openeye Name: N-benzyl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine CAS Name: 2-[(3-nitrophenyl)methylthio]-N-(phenylmethyl)-4-quinazolinamine IUPAC Name: N-benzyl-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Traditional Name: benzyl-[2-[(3-nitrobenzyl)thio]quinazolin-4-yl]amine Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O2S/c27-26(28)18-10-6-9-17(13-18)15-29-22-24-20-12-5-4-11-19(20)21(25-22)23-14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,23,24,25)