1-(4-bromanyl-3-methyl-phenyl)-N-(3-cyanothiophen-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-N-(3-cyanothiophen-2-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: 1-(4-bromo-3-methyl-phenyl)-N-(3-cyano-2-thienyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(4-bromo-3-methylphenyl)-N-(3-cyano-2-thiophenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-bromo-3-methylphenyl)-N-(3-cyanothiophen-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 1-(4-bromo-3-methyl-phenyl)-N-(3-cyano-2-thienyl)-5-keto-pyrrolidine-3-carboxamide Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC3=C(C=CS3)C#N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC(CC2=O)C(=O)NC3=C(C=CS3)C#N)Br

InChI

InChI=1S/C17H14BrN3O2S/c1-10-6-13(2-3-14(10)18)21-9-12(7-15(21)22)16(23)20-17-11(8-19)4-5-24-17/h2-6,12H,7,9H2,1H3,(H,20,23)