N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C24H18N4O2S MolecularWeight: 426.49032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)C#N

InChI

InChI=1S/C24H18N4O2S/c25-14-19-16-10-6-7-13-20(16)31-23(19)26-22(29)21-17-11-4-5-12-18(17)24(30)28(27-21)15-8-2-1-3-9-15/h1-5,8-9,11-12H,6-7,10,13H2,(H,26,29)