7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-(methylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide IUPAC Name: 7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-methylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 7-(3-bromophenyl)-N-(2,4-dimethylphenyl)-5-methyl-2-(methylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide Formula: C22H22BrN5OS MolecularWeight: 484.41198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3N=C(NN3C2C4=CC(=CC=C4)Br)SC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3N=C(NN3C2C4=CC(=CC=C4)Br)SC)C)C

InChI

InChI=1S/C22H22BrN5OS/c1-12-8-9-17(13(2)10-12)25-20(29)18-14(3)24-21-26-22(30-4)27-28(21)19(18)15-6-5-7-16(23)11-15/h5-11,19H,1-4H3,(H,25,29)(H,24,26,27)