4-[(E)-(5-azanylidene-7-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoate

Systemtic Name: 4-[(E)-(5-azanylidene-7-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoate Openeye Name: 4-[(E)-(5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoate CAS Name: 4-[(E)-(5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoate IUPAC Name: 4-[(E)-(5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoate Traditional Name: 4-[(E)-(5-imino-7-keto-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]benzoate Formula: C13H7N4O3S- MolecularWeight: 299.28468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=N)N3C(=NC2=O)SC=N3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/2\C(=N)N3C(=NC2=O)SC=N3)C(=O)[O-]

InChI

InChI=1S/C13H8N4O3S/c14-10-9(11(18)16-13-17(10)15-6-21-13)5-7-1-3-8(4-2-7)12(19)20/h1-6,14H,(H,19,20)/p-1/b9-5+,14-10?