2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-ethyl-quinazolin-4-amine

Systemtic Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-ethyl-quinazolin-4-amine Openeye Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-ethyl-quinazolin-4-amine CAS Name: 2-[2-(4-bromophenyl)sulfonylethylthio]-N-ethyl-4-quinazolinamine IUPAC Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-ethylquinazolin-4-amine Traditional Name: [2-(2-brosylethylthio)quinazolin-4-yl]-ethyl-amine Formula: C18H18BrN3O2S2 MolecularWeight: 452.38842

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H18BrN3O2S2/c1-2-20-17-15-5-3-4-6-16(15)21-18(22-17)25-11-12-26(23,24)14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,20,21,22)