1-(butylamino)-4-[2,3,4-tris(chloranyl)phenyl]pyrazole-3-carbonitrile

Systemtic Name: 1-(butylamino)-4-[2,3,4-tris(chloranyl)phenyl]pyrazole-3-carbonitrile Openeye Name: 1-(butylamino)-4-(2,3,4-trichlorophenyl)pyrazole-3-carbonitrile CAS Name: 1-(butylamino)-4-(2,3,4-trichlorophenyl)-3-pyrazolecarbonitrile IUPAC Name: 1-(butylamino)-4-(2,3,4-trichlorophenyl)pyrazole-3-carbonitrile Traditional Name: 1-(butylamino)-4-(2,3,4-trichlorophenyl)pyrazole-3-carbonitrile Formula: C14H13Cl3N4 MolecularWeight: 343.63882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNN1C=C(C(=N1)C#N)C2=C(C(=C(C=C2)Cl)Cl)Cl

Isomeric SMILES

CCCCNN1C=C(C(=N1)C#N)C2=C(C(=C(C=C2)Cl)Cl)Cl

InChI

InChI=1S/C14H13Cl3N4/c1-2-3-6-19-21-8-10(12(7-18)20-21)9-4-5-11(15)14(17)13(9)16/h4-5,8,19H,2-3,6H2,1H3