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

Systemtic Name: 3-methyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[4-(3-nitrophenyl)thiazol-2-yl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[4-(3-nitrophenyl)-2-thiazolyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[4-(3-nitrophenyl)thiazol-2-yl]phthalazine-1-carboxamide Formula: C19H13N5O4S MolecularWeight: 407.40262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O4S/c1-23-18(26)14-8-3-2-7-13(14)16(22-23)17(25)21-19-20-15(10-29-19)11-5-4-6-12(9-11)24(27)28/h2-10H,1H3,(H,20,21,25)