N-(5-nitro-1,3-thiazol-2-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-(5-nitro-1,3-thiazol-2-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(5-nitrothiazol-2-yl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-(5-nitro-2-thiazolyl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(5-nitro-1,3-thiazol-2-yl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(5-nitrothiazol-2-yl)-3-phenyl-phthalazine-1-carboxamide Formula: C18H11N5O4S MolecularWeight: 393.37604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N5O4S/c24-16(20-18-19-10-14(28-18)23(26)27)15-12-8-4-5-9-13(12)17(25)22(21-15)11-6-2-1-3-7-11/h1-10H,(H,19,20,24)