2-[[5-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-1,3,4-thiadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]-1,3,4-thiadiazol-2-yl]thio]acetate Formula: C11H8N3O3S2- MolecularWeight: 294.32952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=CNC2=NN=C(S2)SCC(=O)[O-]

Isomeric SMILES

C1=CC(=O)C=CC1=CNC2=NN=C(S2)SCC(=O)[O-]

InChI

InChI=1S/C11H9N3O3S2/c15-8-3-1-7(2-4-8)5-12-10-13-14-11(19-10)18-6-9(16)17/h1-5H,6H2,(H,12,13)(H,16,17)/p-1