6-[[2-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoyl]hydrazinyl]methylidene]-3-oxidanylidene-cyclohexa-1,4-dien-1-olate

Systemtic Name: 6-[[2-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)ethanoyl]hydrazinyl]methylidene]-3-oxidanylidene-cyclohexa-1,4-dien-1-olate Openeye Name: 6-[[2-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazino]methylene]-3-oxo-cyclohexa-1,4-dien-1-olate CAS Name: 6-[[[2-(1,3-benzoxazol-3-ium-2-ylthio)-1-oxoethyl]hydrazo]methylidene]-3-oxo-1-cyclohexa-1,4-dienolate IUPAC Name: 6-[[2-[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinyl]methylidene]-3-oxocyclohexa-1,4-dien-1-olate Traditional Name: 6-[[N'-[2-(1,3-benzoxazol-3-ium-2-ylthio)acetyl]hydrazino]methylene]-3-keto-cyclohexa-1,4-dien-1-olate Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH+]=C(O2)SCC(=O)NNC=C3C=CC(=O)C=C3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[NH+]=C(O2)SCC(=O)NNC=C3C=CC(=O)C=C3[O-]

InChI

InChI=1S/C16H13N3O4S/c20-11-6-5-10(13(21)7-11)8-17-19-15(22)9-24-16-18-12-3-1-2-4-14(12)23-16/h1-8,17,21H,9H2,(H,19,22)