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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylthio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorobenzyl)thio]-4-ethyl-1,2,4-triazole Formula: C21H23Cl2N3S MolecularWeight: 420.39842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N3S/c1-5-26-19(15-7-9-16(10-8-15)21(2,3)4)24-25-20(26)27-13-14-6-11-17(22)18(23)12-14/h6-12H,5,13H2,1-4H3