ethyl 4-azanyl-6-cyano-5-oxidanylidene-3-phenyl-7-thiophen-2-yl-phthalazine-1-carboxylate

Systemtic Name: ethyl 4-azanyl-6-cyano-5-oxidanylidene-3-phenyl-7-thiophen-2-yl-phthalazine-1-carboxylate Openeye Name: ethyl 4-amino-6-cyano-5-oxo-3-phenyl-7-(2-thienyl)phthalazine-1-carboxylate CAS Name: 4-amino-6-cyano-5-oxo-3-phenyl-7-thiophen-2-yl-1-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-cyano-5-oxo-3-phenyl-7-thiophen-2-ylphthalazine-1-carboxylate Traditional Name: 4-amino-6-cyano-5-keto-3-phenyl-7-(2-thienyl)phthalazine-1-carboxylic acid ethyl ester Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C2C1=CC(=C(C2=O)C#N)C3=CC=CS3)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C2C1=CC(=C(C2=O)C#N)C3=CC=CS3)N)C4=CC=CC=C4

InChI

InChI=1S/C22H16N4O3S/c1-2-29-22(28)19-15-11-14(17-9-6-10-30-17)16(12-23)20(27)18(15)21(24)26(25-19)13-7-4-3-5-8-13/h3-11H,2,24H2,1H3