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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H14N4O2S MolecularWeight: 398.43716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H14N4O2S/c27-20-16-9-2-1-8-15(16)19(25-26-20)21(28)23-14-7-5-6-13(12-14)22-24-17-10-3-4-11-18(17)29-22/h1-12H,(H,23,28)(H,26,27)