6-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 6-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 6-[(2-chloro-4-fluoro-phenyl)methyl]-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 6-[(2-chloro-4-fluorophenyl)methyl]-2-[(2-chloro-6-fluorophenyl)methylthio]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 6-[(2-chloro-4-fluorophenyl)methyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 6-(2-chloro-4-fluoro-benzyl)-2-[(2-chloro-6-fluoro-benzyl)thio]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C21H16Cl2F2N4S MolecularWeight: 465.346346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=NC(=NN12)SCC3=C(C=CC=C3Cl)F)C)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C(=NC2=NC(=NN12)SCC3=C(C=CC=C3Cl)F)C)CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H16Cl2F2N4S/c1-11-15(8-13-6-7-14(24)9-18(13)23)12(2)29-20(26-11)27-21(28-29)30-10-16-17(22)4-3-5-19(16)25/h3-7,9H,8,10H2,1-2H3