3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-cyclohexyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-5-cyclohexyl-4-phenyl-1,2,4-triazole Formula: C21H21ClFN3S MolecularWeight: 401.927943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H21ClFN3S/c22-18-12-7-13-19(23)17(18)14-27-21-25-24-20(15-8-3-1-4-9-15)26(21)16-10-5-2-6-11-16/h2,5-7,10-13,15H,1,3-4,8-9,14H2