3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-7-methoxycarbonyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-7-methoxycarbonyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-7-methoxycarbonyl-2-thioxo-quinazolin-4-olate CAS Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-7-methoxycarbonyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-7-methoxycarbonyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-carbomethoxy-3-[2-(1H-imidazol-3-ium-5-yl)ethyl]-2-thioxo-quinazolin-4-olate Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CCC3=C[NH+]=CN3

Isomeric SMILES

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CCC3=C[NH+]=CN3

InChI

InChI=1S/C15H14N4O3S/c1-22-14(21)9-2-3-11-12(6-9)18-15(23)19(13(11)20)5-4-10-7-16-8-17-10/h2-3,6-8,20H,4-5H2,1H3,(H,16,17)