3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole Formula: C23H28ClN3S MolecularWeight: 414.00652

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=C(C=C2C)C(C)(C)C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=C(C=C2C)C(C)(C)C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3S/c1-7-27-21(17-8-10-19(24)11-9-17)25-26-22(27)28-14-20-15(2)12-18(13-16(20)3)23(4,5)6/h8-13H,7,14H2,1-6H3