N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-(6-nitro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C23H15N5O4S MolecularWeight: 457.4613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H15N5O4S/c29-21(25-23-24-18-11-10-15(28(31)32)12-19(18)33-23)20-16-8-4-5-9-17(16)22(30)27(26-20)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25,29)