6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2-(p-tolylmethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2-[(4-methylphenyl)methylthio]-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 6-[(2-chlorophenyl)methyl]-5,7-dimethyl-2-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 6-(2-chlorobenzyl)-5,7-dimethyl-2-[(4-methylbenzyl)thio]-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C22H21ClN4S MolecularWeight: 408.94694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN3C(=C(C(=NC3=N2)C)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN3C(=C(C(=NC3=N2)C)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C22H21ClN4S/c1-14-8-10-17(11-9-14)13-28-22-25-21-24-15(2)19(16(3)27(21)26-22)12-18-6-4-5-7-20(18)23/h4-11H,12-13H2,1-3H3