5-azanyl-3-butyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-butyl-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-3-butyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-butyl-1-(2,4,6-trichlorophenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-butyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-butyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile Formula: C14H13Cl3N4 MolecularWeight: 343.63882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1C#N)N)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CCCCC1=NN(C(=C1C#N)N)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C14H13Cl3N4/c1-2-3-4-12-9(7-18)14(19)21(20-12)13-10(16)5-8(15)6-11(13)17/h5-6H,2-4,19H2,1H3