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

Systemtic Name: 5-azanyl-3-(2-hydroxyethyl)-1-[2,4,6-tris(chloranyl)phenyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile CAS Name: 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile Traditional Name: 5-amino-3-(2-hydroxyethyl)-1-(2,4,6-trichlorophenyl)pyrazole-4-carbonitrile Formula: C12H9Cl3N4O MolecularWeight: 331.58506

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)CCO)C#N)N)Cl)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)CCO)C#N)N)Cl)Cl

InChI

InChI=1S/C12H9Cl3N4O/c13-6-3-8(14)11(9(15)4-6)19-12(17)7(5-16)10(18-19)1-2-20/h3-4,20H,1-2,17H2