(3-ethyl-5-methyl-6-oxidanylidene-7-oxa-1-aza-3-azoniabicyclo[2.2.1]hepta-2,4-dien-2-yl) methanimidothioate

Systemtic Name: (3-ethyl-5-methyl-6-oxidanylidene-7-oxa-1-aza-3-azoniabicyclo[2.2.1]hepta-2,4-dien-2-yl) methanimidothioate Openeye Name: (3-ethyl-5-methyl-6-oxo-7-oxa-1-aza-3-azoniabicyclo[2.2.1]hepta-2,4-dien-2-yl) methanimidothioate CAS Name: methanimidothioic acid (3-ethyl-5-methyl-6-oxo-7-oxa-1-aza-3-azoniabicyclo[2.2.1]hepta-2,4-dien-2-yl) ester IUPAC Name: (3-ethyl-5-methyl-6-oxo-7-oxa-1-aza-3-azoniabicyclo[2.2.1]hepta-2,4-dien-2-yl) methanimidothioate Traditional Name: thioformimidic acid (3-ethyl-6-keto-5-methyl-7-oxa-1-aza-3-azoniabicyclo[2.2.1]hepta-2,4-dien-2-yl) ester Formula: C8H10N3O2S+ MolecularWeight: 212.2489

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N2C(=O)C(=C1O2)C)SC=N

Isomeric SMILES

CC[N+]1=C(N2C(=O)C(=C1O2)C)SC=N

InChI

InChI=1S/C8H10N3O2S/c1-3-10-7-5(2)6(12)11(13-7)8(10)14-4-9/h4,9H,3H2,1-2H3/q+1