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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylthio]-4-cyclohexyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazole Formula: C29H39N3S MolecularWeight: 461.70506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H39N3S/c1-28(2,3)23-16-12-21(13-17-23)20-33-27-31-30-26(32(27)25-10-8-7-9-11-25)22-14-18-24(19-15-22)29(4,5)6/h12-19,25H,7-11,20H2,1-6H3