1-butyl-4-imidazol-1-yl-5-methylsulfanyl-3-[2,4,5-tris(chloranyl)phenyl]pyrazole

Systemtic Name: 1-butyl-4-imidazol-1-yl-5-methylsulfanyl-3-[2,4,5-tris(chloranyl)phenyl]pyrazole Openeye Name: 1-butyl-4-imidazol-1-yl-5-methylsulfanyl-3-(2,4,5-trichlorophenyl)pyrazole CAS Name: 1-butyl-4-(1-imidazolyl)-5-(methylthio)-3-(2,4,5-trichlorophenyl)pyrazole IUPAC Name: 1-butyl-4-imidazol-1-yl-5-methylsulfanyl-3-(2,4,5-trichlorophenyl)pyrazole Traditional Name: 1-butyl-4-imidazol-1-yl-5-(methylthio)-3-(2,4,5-trichlorophenyl)pyrazole Formula: C17H17Cl3N4S MolecularWeight: 415.76768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C2=CC(=C(C=C2Cl)Cl)Cl)N3C=CN=C3)SC

Isomeric SMILES

CCCCN1C(=C(C(=N1)C2=CC(=C(C=C2Cl)Cl)Cl)N3C=CN=C3)SC

InChI

InChI=1S/C17H17Cl3N4S/c1-3-4-6-24-17(25-2)16(23-7-5-21-10-23)15(22-24)11-8-13(19)14(20)9-12(11)18/h5,7-10H,3-4,6H2,1-2H3