1-(4-bromophenyl)-2-methylsulfanyl-5-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-4-ium

Systemtic Name: 1-(4-bromophenyl)-2-methylsulfanyl-5-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-4-ium Openeye Name: 1-(4-bromophenyl)-2-methylsulfanyl-5-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-4-ium CAS Name: 1-(4-bromophenyl)-2-(methylthio)-5-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-4-ium IUPAC Name: 1-(4-bromophenyl)-2-methylsulfanyl-5-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-4-ium Traditional Name: 1-(4-bromophenyl)-2-(methylthio)-5-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-4-ium Formula: C22H16BrN4S+ MolecularWeight: 448.35824

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=N[N+]2=C(N1C3=CC=C(C=C3)Br)C4=CC=CC=C4N=C2C5=CC=CC=C5

Isomeric SMILES

CSC1=N[N+]2=C(N1C3=CC=C(C=C3)Br)C4=CC=CC=C4N=C2C5=CC=CC=C5

InChI

InChI=1S/C22H16BrN4S/c1-28-22-25-27-20(15-7-3-2-4-8-15)24-19-10-6-5-9-18(19)21(27)26(22)17-13-11-16(23)12-14-17/h2-14H,1H3/q+1