3-tert-butyl-5-methylsulfanyl-1-[2,4,6-tris(chloranyl)phenyl]-1,2,4-triazole

Systemtic Name: 3-tert-butyl-5-methylsulfanyl-1-[2,4,6-tris(chloranyl)phenyl]-1,2,4-triazole Openeye Name: 3-tert-butyl-5-methylsulfanyl-1-(2,4,6-trichlorophenyl)-1,2,4-triazole CAS Name: 3-tert-butyl-5-(methylthio)-1-(2,4,6-trichlorophenyl)-1,2,4-triazole IUPAC Name: 3-tert-butyl-5-methylsulfanyl-1-(2,4,6-trichlorophenyl)-1,2,4-triazole Traditional Name: 3-tert-butyl-5-(methylthio)-1-(2,4,6-trichlorophenyl)-1,2,4-triazole Formula: C13H14Cl3N3S MolecularWeight: 350.69436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=N1)SC)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=N1)SC)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C13H14Cl3N3S/c1-13(2,3)11-17-12(20-4)19(18-11)10-8(15)5-7(14)6-9(10)16/h5-6H,1-4H3