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

Systemtic Name: 3-(4-bromophenyl)-4-cyclohexyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-4-cyclohexyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-cyclohexyl-5-[(4-fluorophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-4-cyclohexyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-4-cyclohexyl-5-[(4-fluorobenzyl)thio]-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)F)C4=CC=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrFN3S/c22-17-10-8-16(9-11-17)20-24-25-21(26(20)19-4-2-1-3-5-19)27-14-15-6-12-18(23)13-7-15/h6-13,19H,1-5,14H2