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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-N-phenethyl-quinazolin-4-amine Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-N-phenethyl-quinazolin-4-amine CAS Name: 2-[(3-nitrophenyl)methylthio]-N-phenethyl-4-quinazolinamine IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-N-phenethylquinazolin-4-amine Traditional Name: [2-[(3-nitrobenzyl)thio]quinazolin-4-yl]-phenethyl-amine Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O2S/c28-27(29)19-10-6-9-18(15-19)16-30-23-25-21-12-5-4-11-20(21)22(26-23)24-14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,24,25,26)