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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 2-[(4-chlorophenyl)methylthio]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-[(2-fluorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 2-[(4-chlorobenzyl)thio]-6-(2-fluorobenzyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C21H18ClFN4S MolecularWeight: 412.910823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=NC(=NN12)SCC3=CC=C(C=C3)Cl)C)CC4=CC=CC=C4F

Isomeric SMILES

CC1=C(C(=NC2=NC(=NN12)SCC3=CC=C(C=C3)Cl)C)CC4=CC=CC=C4F

InChI

InChI=1S/C21H18ClFN4S/c1-13-18(11-16-5-3-4-6-19(16)23)14(2)27-20(24-13)25-21(26-27)28-12-15-7-9-17(22)10-8-15/h3-10H,11-12H2,1-2H3