3-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C16H10N4O4S MolecularWeight: 354.34

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(C=CS3)C#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=C(C=CS3)C#N)C(=O)O

InChI

InChI=1S/C16H10N4O4S/c17-7-9-5-6-25-14(9)18-12(21)8-20-15(22)11-4-2-1-3-10(11)13(19-20)16(23)24/h1-6H,8H2,(H,18,21)(H,23,24)