5-[[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylamino]-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-[[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylamino]-1H-pyrazole-4-carbonitrile Openeye Name: 5-[(3,5-dibromo-2-hydroxy-phenyl)methylamino]-1H-pyrazole-4-carbonitrile CAS Name: 5-[(3,5-dibromo-2-hydroxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile IUPAC Name: 5-[(3,5-dibromo-2-hydroxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile Traditional Name: 5-[(3,5-dibromo-2-hydroxy-benzyl)amino]-1H-pyrazole-4-carbonitrile Formula: C11H8Br2N4O MolecularWeight: 372.01542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)CNC2=C(C=NN2)C#N)Br

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)CNC2=C(C=NN2)C#N)Br

InChI

InChI=1S/C11H8Br2N4O/c12-8-1-6(10(18)9(13)2-8)4-15-11-7(3-14)5-16-17-11/h1-2,5,18H,4H2,(H2,15,16,17)