3-ethyl-4-oxidanylidene-N-[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]phthalazine-1-carboxamide

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]phthalazine-1-carboxamide Openeye Name: 3-ethyl-N-[(4-isopropylphenyl)-(2-thienyl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-ethyl-4-oxo-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-4-oxo-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]phthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[p-cumenyl(2-thienyl)methyl]phthalazine-1-carboxamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C3=CC=C(C=C3)C(C)C)C4=CC=CS4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C3=CC=C(C=C3)C(C)C)C4=CC=CS4

InChI

InChI=1S/C25H25N3O2S/c1-4-28-25(30)20-9-6-5-8-19(20)23(27-28)24(29)26-22(21-10-7-15-31-21)18-13-11-17(12-14-18)16(2)3/h5-16,22H,4H2,1-3H3,(H,26,29)