5-tert-butyl-3-[(2,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-tert-butyl-3-[(2,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-tert-butyl-3-[(2,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-tert-butyl-3-[(2,4-dichlorophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-tert-butyl-3-[(2,4-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-tert-butyl-3-[(2,4-dichlorobenzyl)thio]-1H-1,2,4-triazole Formula: C13H15Cl2N3S MolecularWeight: 316.2493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H15Cl2N3S/c1-13(2,3)11-16-12(18-17-11)19-7-8-4-5-9(14)6-10(8)15/h4-6H,7H2,1-3H3,(H,16,17,18)