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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C20H18N4O2S/c1-2-24-20(26)14-9-4-3-8-13(14)17(23-24)18(25)22-19-15(11-21)12-7-5-6-10-16(12)27-19/h3-4,8-9H,2,5-7,10H2,1H3,(H,22,25)