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

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylthio]-4-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(3,4-dichlorobenzyl)thio]-4-(4-methoxyphenyl)-1,2,4-triazole Formula: C26H25Cl2N3OS MolecularWeight: 498.4672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H25Cl2N3OS/c1-26(2,3)19-8-6-18(7-9-19)24-29-30-25(31(24)20-10-12-21(32-4)13-11-20)33-16-17-5-14-22(27)23(28)15-17/h5-15H,16H2,1-4H3