3-azanyl-1-[2-[2,4,5-tris(bromanyl)phenyl]ethyl]pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-1-[2-[2,4,5-tris(bromanyl)phenyl]ethyl]pyrazole-4-carbonitrile Openeye Name: 3-amino-1-[2-(2,4,5-tribromophenyl)ethyl]pyrazole-4-carbonitrile CAS Name: 3-amino-1-[2-(2,4,5-tribromophenyl)ethyl]-4-pyrazolecarbonitrile IUPAC Name: 3-amino-1-[2-(2,4,5-tribromophenyl)ethyl]pyrazole-4-carbonitrile Traditional Name: 3-amino-1-[2-(2,4,5-tribromophenyl)ethyl]pyrazole-4-carbonitrile Formula: C12H9Br3N4 MolecularWeight: 448.93866

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Br)Br)Br)CCN2C=C(C(=N2)N)C#N

Isomeric SMILES

C1=C(C(=CC(=C1Br)Br)Br)CCN2C=C(C(=N2)N)C#N

InChI

InChI=1S/C12H9Br3N4/c13-9-4-11(15)10(14)3-7(9)1-2-19-6-8(5-16)12(17)18-19/h3-4,6H,1-2H2,(H2,17,18)