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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxidanylidene-2-(phenylmethyl)pyrazolidine-3-carboxamide Openeye Name: 2-benzyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-oxo-pyrazolidine-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxo-2-(phenylmethyl)-3-pyrazolidinecarboxamide IUPAC Name: 2-benzyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-oxopyrazolidine-3-carboxamide Traditional Name: 2-benzyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-keto-pyrazolidine-3-carboxamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC(=O)NN3CC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC(=O)NN3CC4=CC=CC=C4)C#N

InChI

InChI=1S/C20H20N4O2S/c21-11-15-14-8-4-5-9-17(14)27-20(15)22-19(26)16-10-18(25)23-24(16)12-13-6-2-1-3-7-13/h1-3,6-7,16H,4-5,8-10,12H2,(H,22,26)(H,23,25)