ethyl 6-(carbamothioylamino)-4-oxidanylidene-1H-cinnoline-3-carboxylate

Systemtic Name: ethyl 6-(carbamothioylamino)-4-oxidanylidene-1H-cinnoline-3-carboxylate Openeye Name: ethyl 6-(carbamothioylamino)-4-oxo-1H-cinnoline-3-carboxylate CAS Name: 6-(carbamothioylamino)-4-oxo-1H-cinnoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(carbamothioylamino)-4-oxo-1H-cinnoline-3-carboxylate Traditional Name: 4-keto-6-thioureido-1H-cinnoline-3-carboxylic acid ethyl ester Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC2=C(C1=O)C=C(C=C2)NC(=S)N

Isomeric SMILES

CCOC(=O)C1=NNC2=C(C1=O)C=C(C=C2)NC(=S)N

InChI

InChI=1S/C12H12N4O3S/c1-2-19-11(18)9-10(17)7-5-6(14-12(13)20)3-4-8(7)15-16-9/h3-5H,2H2,1H3,(H,15,17)(H3,13,14,20)