3-[(3-bromophenyl)methylsulfanyl]-5-[(4-cyclohexylphenoxy)methyl]-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-[(4-cyclohexylphenoxy)methyl]-4-methyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-[(4-cyclohexylphenoxy)methyl]-4-methyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-[(4-cyclohexylphenoxy)methyl]-4-methyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-[(4-cyclohexylphenoxy)methyl]-4-methyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-[(4-cyclohexylphenoxy)methyl]-4-methyl-1,2,4-triazole Formula: C23H26BrN3OS MolecularWeight: 472.44104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)COC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)Br)COC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C23H26BrN3OS/c1-27-22(25-26-23(27)29-16-17-6-5-9-20(24)14-17)15-28-21-12-10-19(11-13-21)18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15-16H2,1H3