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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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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)CC5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C#N

InChI

InChI=1S/C25H20N4O2S/c26-14-20-17-10-6-7-13-21(17)32-24(20)27-23(30)22-18-11-4-5-12-19(18)25(31)29(28-22)15-16-8-2-1-3-9-16/h1-5,8-9,11-12H,6-7,10,13,15H2,(H,27,30)