N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C28H18N4O2S MolecularWeight: 474.53312

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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=CC=CC=C4C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=CC=CC=C4C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C28H18N4O2S/c33-26(29-22-15-7-6-14-21(22)27-30-23-16-8-9-17-24(23)35-27)25-19-12-4-5-13-20(19)28(34)32(31-25)18-10-2-1-3-11-18/h1-17H,(H,29,33)