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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazole Formula: C25H30BrN3S MolecularWeight: 484.4948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H30BrN3S/c1-25(2,3)20-13-11-19(12-14-20)23-27-28-24(29(23)22-7-5-4-6-8-22)30-17-18-9-15-21(26)16-10-18/h9-16,22H,4-8,17H2,1-3H3