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

Systemtic Name: N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(5-nosylthiazol-2-yl)-3-propyl-phthalazine-1-carboxamide Formula: C21H17N5O6S2 MolecularWeight: 499.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=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

CCCN1C(=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/C21H17N5O6S2/c1-2-11-25-20(28)16-6-4-3-5-15(16)18(24-25)19(27)23-21-22-12-17(33-21)34(31,32)14-9-7-13(8-10-14)26(29)30/h3-10,12H,2,11H2,1H3,(H,22,23,27)