3-azanyl-5-[3-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]propyl]-1H-pyrazole-4-carbonitrile Formula: C14H14BrN5O MolecularWeight: 348.19786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CNCCCC2=C(C(=NN2)N)C#N)C=C1Br

Isomeric SMILES

C1=CC(=O)C(=CNCCCC2=C(C(=NN2)N)C#N)C=C1Br

InChI

InChI=1S/C14H14BrN5O/c15-10-3-4-13(21)9(6-10)8-18-5-1-2-12-11(7-16)14(17)20-19-12/h3-4,6,8,18H,1-2,5H2,(H3,17,19,20)