[azanyl(methylsulfanyl)methylidene]-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]azanium

Systemtic Name: [azanyl(methylsulfanyl)methylidene]-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]azanium Openeye Name: [amino(methylsulfanyl)methylene]-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]ammonium CAS Name: [amino-(methylthio)methylidene]-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]ammonium IUPAC Name: [amino(methylsulfanyl)methylidene]-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]azanium Traditional Name: [amino-(methylthio)methylene]-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]ammonium Formula: C10H13BrN3O2S+ MolecularWeight: 319.19812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CN[NH+]=C(N)SC)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CN[NH+]=C(N)SC)C=C(C1=O)Br

InChI

InChI=1S/C10H12BrN3O2S/c1-16-8-4-6(3-7(11)9(8)15)5-13-14-10(12)17-2/h3-5,13H,1-2H3,(H2,12,14)/p+1