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

Systemtic Name: 3-cyclohexyl-5-[(2-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole hydrobromide Openeye Name: 3-cyclohexyl-5-[(2-fluorophenyl)methylsulfanyl]-4-(m-tolyl)-1,2,4-triazole hydrobromide CAS Name: 3-cyclohexyl-5-[(2-fluorophenyl)methylthio]-4-(3-methylphenyl)-1,2,4-triazole hydrobromide IUPAC Name: 3-cyclohexyl-5-[(2-fluorophenyl)methylsulfanyl]-4-(3-methylphenyl)-1,2,4-triazole hydrobromide Traditional Name: 3-cyclohexyl-5-[(2-fluorobenzyl)thio]-4-(m-tolyl)-1,2,4-triazole hydrobromide Formula: C22H25BrFN3S MolecularWeight: 462.421403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=CC=C3F)C4CCCCC4.Br

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=CC=C3F)C4CCCCC4.Br

InChI

InChI=1S/C22H24FN3S.BrH/c1-16-8-7-12-19(14-16)26-21(17-9-3-2-4-10-17)24-25-22(26)27-15-18-11-5-6-13-20(18)23;/h5-8,11-14,17H,2-4,9-10,15H2,1H3;1H