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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chlorophenyl)methylthio]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chlorobenzyl)thio]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole Formula: C28H28ClN3OS MolecularWeight: 490.05942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5Cl

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5Cl

InChI

InChI=1S/C28H28ClN3OS/c29-26-14-8-7-11-23(26)20-34-28-31-30-27(32(28)24-12-5-2-6-13-24)19-33-25-17-15-22(16-18-25)21-9-3-1-4-10-21/h2,5-8,11-18,21H,1,3-4,9-10,19-20H2