4-[(4-oxidanylidenethieno[3,2-d][1,2,3]triazin-3-yl)methyl]benzoate

Systemtic Name: 4-[(4-oxidanylidenethieno[3,2-d][1,2,3]triazin-3-yl)methyl]benzoate Openeye Name: 4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzoate CAS Name: 4-[(4-oxo-3-thieno[3,2-d]triazinyl)methyl]benzoate IUPAC Name: 4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzoate Traditional Name: 4-[(4-ketothieno[3,2-d]triazin-3-yl)methyl]benzoate Formula: C13H8N3O3S- MolecularWeight: 286.28592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C3=C(C=CS3)N=N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C3=C(C=CS3)N=N2)C(=O)[O-]

InChI

InChI=1S/C13H9N3O3S/c17-12-11-10(5-6-20-11)14-15-16(12)7-8-1-3-9(4-2-8)13(18)19/h1-6H,7H2,(H,18,19)/p-1