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

Systemtic Name: 3-(4-bromophenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-5-[(2-chlorophenyl)methylthio]-4-cyclohexyl-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-5-[(2-chlorobenzyl)thio]-4-cyclohexyl-1,2,4-triazole Formula: C21H21BrClN3S MolecularWeight: 462.83354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3Cl)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3Cl)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrClN3S/c22-17-12-10-15(11-13-17)20-24-25-21(26(20)18-7-2-1-3-8-18)27-14-16-6-4-5-9-19(16)23/h4-6,9-13,18H,1-3,7-8,14H2