1-(4-bromophenyl)-3-(4-chlorophenyl)-5,7-dimethyl-[1,2,3]triazolo[1,5-a]pyrimidin-8-ium

Systemtic Name: 1-(4-bromophenyl)-3-(4-chlorophenyl)-5,7-dimethyl-[1,2,3]triazolo[1,5-a]pyrimidin-8-ium Openeye Name: 1-(4-bromophenyl)-3-(4-chlorophenyl)-5,7-dimethyl-triazolo[1,5-a]pyrimidin-8-ium CAS Name: 1-(4-bromophenyl)-3-(4-chlorophenyl)-5,7-dimethyltriazolo[1,5-a]pyrimidin-8-ium IUPAC Name: 1-(4-bromophenyl)-3-(4-chlorophenyl)-5,7-dimethyltriazolo[1,5-a]pyrimidin-8-ium Traditional Name: 1-(4-bromophenyl)-3-(4-chlorophenyl)-5,7-dimethyl-triazolo[1,5-a]pyrimidin-8-ium Formula: C19H15BrClN4+ MolecularWeight: 414.7062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=N1)C(=NN2C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=[N+]2C(=N1)C(=NN2C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C19H15BrClN4/c1-12-11-13(2)24-19(22-12)18(14-3-7-16(21)8-4-14)23-25(24)17-9-5-15(20)6-10-17/h3-11H,1-2H3/q+1