6-[[(5-azanyl-1,2,3,4-tetrazol-1-yl)amino]methylidene]-2-bromanyl-4-chloranyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(5-azanyl-1,2,3,4-tetrazol-1-yl)amino]methylidene]-2-bromanyl-4-chloranyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(5-aminotetrazol-1-yl)amino]methylene]-2-bromo-4-chloro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(5-amino-1-tetrazolyl)amino]methylidene]-2-bromo-4-chloro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(5-aminotetrazol-1-yl)amino]methylidene]-2-bromo-4-chlorocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(5-aminotetrazol-1-yl)amino]methylene]-2-bromo-4-chloro-cyclohexa-2,4-dien-1-one Formula: C8H6BrClN6O MolecularWeight: 317.52984

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=O)C1=CNN2C(=NN=N2)N)Br)Cl

Isomeric SMILES

C1=C(C=C(C(=O)C1=CNN2C(=NN=N2)N)Br)Cl

InChI

InChI=1S/C8H6BrClN6O/c9-6-2-5(10)1-4(7(6)17)3-12-16-8(11)13-14-15-16/h1-3,12H,(H2,11,13,15)