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

Systemtic Name: 3-butyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-keto-phthalazine-1-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H22N4O2S/c1-2-3-12-26-22(28)16-10-5-4-9-15(16)19(25-26)20(27)24-21-17(13-23)14-8-6-7-11-18(14)29-21/h4-5,9-10H,2-3,6-8,11-12H2,1H3,(H,24,27)