3-[(2-chlorophenyl)methylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole Formula: C21H21ClFN3S MolecularWeight: 401.927943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3Cl)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3Cl)C4=CC=CC=C4F

InChI

InChI=1S/C21H21ClFN3S/c22-18-12-6-4-8-15(18)14-27-21-25-24-20(17-11-5-7-13-19(17)23)26(21)16-9-2-1-3-10-16/h4-8,11-13,16H,1-3,9-10,14H2