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

Systemtic Name: [azanyl-(phenylmethylsulfanyl)methylidene]-[(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]azanium Openeye Name: [amino(benzylsulfanyl)methylene]-[(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]ammonium CAS Name: [amino-(phenylmethylthio)methylidene]-[(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]ammonium IUPAC Name: [amino(benzylsulfanyl)methylidene]-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]azanium Traditional Name: [amino-(benzylthio)methylene]-[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methylamino]ammonium Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CN[NH+]=C(N)SCC2=CC=CC=C2)C=CC1=O

Isomeric SMILES

COC1=CC(=CN[NH+]=C(N)SCC2=CC=CC=C2)C=CC1=O

InChI

InChI=1S/C16H17N3O2S/c1-21-15-9-13(7-8-14(15)20)10-18-19-16(17)22-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3,(H2,17,19)/p+1