5-[3-(2-cyanoethylamino)pyrrolidin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[3-(2-cyanoethylamino)pyrrolidin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[3-(2-cyanoethylamino)pyrrolidin-1-yl]-2-(5-isocyano-2-thienyl)-2-isopropyl-pentanenitrile CAS Name: 5-[3-(2-cyanoethylamino)-1-pyrrolidinyl]-2-(5-isocyano-2-thiophenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[3-(2-cyanoethylamino)pyrrolidin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[3-(2-cyanoethylamino)pyrrolidino]-2-(5-isocyano-2-thienyl)-2-isopropyl-valeronitrile Formula: C20H27N5S MolecularWeight: 369.52688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(C1)NCCC#N)(C#N)C2=CC=C(S2)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCC(C1)NCCC#N)(C#N)C2=CC=C(S2)[N+]#[C-]

InChI

InChI=1S/C20H27N5S/c1-16(2)20(15-22,18-6-7-19(23-3)26-18)9-4-12-25-13-8-17(14-25)24-11-5-10-21/h6-7,16-17,24H,4-5,8-9,11-14H2,1-2H3