5-oxidanylidene-2-propan-2-yl-5-pyrrol-1-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-oxidanylidene-2-propan-2-yl-5-pyrrol-1-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-oxo-5-pyrrol-1-yl-2-(2-thienyl)pentanenitrile CAS Name: 5-oxo-2-propan-2-yl-5-(1-pyrrolyl)-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-oxo-2-propan-2-yl-5-pyrrol-1-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-keto-5-pyrrol-1-yl-2-(2-thienyl)valeronitrile Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)N1C=CC=C1)(C#N)C2=CC=CS2

Isomeric SMILES

CC(C)C(CCC(=O)N1C=CC=C1)(C#N)C2=CC=CS2

InChI

InChI=1S/C16H18N2OS/c1-13(2)16(12-17,14-6-5-11-20-14)8-7-15(19)18-9-3-4-10-18/h3-6,9-11,13H,7-8H2,1-2H3