2-(5-isocyanothiophen-2-yl)-5-oxidanyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(5-isocyanothiophen-2-yl)-5-oxidanyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-hydroxy-2-(5-isocyano-2-thienyl)-2-isopropyl-pentanenitrile CAS Name: 5-hydroxy-2-(5-isocyano-2-thiophenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-hydroxy-2-(5-isocyanothiophen-2-yl)-2-propan-2-ylpentanenitrile Traditional Name: 5-hydroxy-2-(5-isocyano-2-thienyl)-2-isopropyl-valeronitrile Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCO)(C#N)C1=CC=C(S1)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCO)(C#N)C1=CC=C(S1)[N+]#[C-]

InChI

InChI=1S/C13H16N2OS/c1-10(2)13(9-14,7-4-8-16)11-5-6-12(15-3)17-11/h5-6,10,16H,4,7-8H2,1-2H3