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

Systemtic Name: 3-[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C17H12N4O4S/c1-9(14(22)19-15-10(8-18)6-7-26-15)21-16(23)12-5-3-2-4-11(12)13(20-21)17(24)25/h2-7,9H,1H3,(H,19,22)(H,24,25)