3-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(5-nosylthiazol-2-yl)phthalazine-1-carboxamide Formula: C19H13N5O6S2 MolecularWeight: 471.46642

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O6S2/c1-23-18(26)14-5-3-2-4-13(14)16(22-23)17(25)21-19-20-10-15(31-19)32(29,30)12-8-6-11(7-9-12)24(27)28/h2-10H,1H3,(H,20,21,25)