N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-phenyl-phthalazine-1-carboxamide Formula: C23H16N4O2S2 MolecularWeight: 444.52874

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C23H16N4O2S2/c1-30-23-25-18-12-11-14(13-19(18)31-23)24-21(28)20-16-9-5-6-10-17(16)22(29)27(26-20)15-7-3-2-4-8-15/h2-13H,1H3,(H,24,28)