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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylthio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazole Formula: C25H33N3S MolecularWeight: 407.61462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H33N3S/c1-8-28-22(19-11-15-21(16-12-19)25(5,6)7)26-27-23(28)29-17-18-9-13-20(14-10-18)24(2,3)4/h9-16H,8,17H2,1-7H3