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

Systemtic Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(2,4-dichlorophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-cyclohexyl-5-[(2,4-dichlorobenzyl)thio]-1,2,4-triazole Formula: C25H29Cl2N3S MolecularWeight: 474.48886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29Cl2N3S/c1-25(2,3)19-12-9-17(10-13-19)23-28-29-24(30(23)21-7-5-4-6-8-21)31-16-18-11-14-20(26)15-22(18)27/h9-15,21H,4-8,16H2,1-3H3