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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazole Formula: C21H21BrFN3S MolecularWeight: 446.378943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4F

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4F

InChI

InChI=1S/C21H21BrFN3S/c22-16-12-10-15(11-13-16)14-27-21-25-24-20(18-8-4-5-9-19(18)23)26(21)17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2