N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3H-phthalazine-1-carboxamide Formula: C23H16N4O2S MolecularWeight: 412.46374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C23H16N4O2S/c1-13-6-11-18-19(12-13)30-23(25-18)14-7-9-15(10-8-14)24-22(29)20-16-4-2-3-5-17(16)21(28)27-26-20/h2-12H,1H3,(H,24,29)(H,27,28)