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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorobenzyl)thio]-4-(p-tolyl)-1,2,4-triazole Formula: C26H25Cl2N3S MolecularWeight: 482.4678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)Cl)Cl)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H25Cl2N3S/c1-17-5-12-21(13-6-17)31-24(19-8-10-20(11-9-19)26(2,3)4)29-30-25(31)32-16-18-7-14-22(27)23(28)15-18/h5-15H,16H2,1-4H3