5-[3-[2-cyanoethyl(thiophen-2-ylmethyl)amino]pyrrolidin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[3-[2-cyanoethyl(thiophen-2-ylmethyl)amino]pyrrolidin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[3-[2-cyanoethyl(2-thienylmethyl)amino]pyrrolidin-1-yl]-2-(5-isocyano-2-thienyl)-2-isopropyl-pentanenitrile CAS Name: 5-[3-[2-cyanoethyl(thiophen-2-ylmethyl)amino]-1-pyrrolidinyl]-2-(5-isocyano-2-thiophenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[3-[2-cyanoethyl(thiophen-2-ylmethyl)amino]pyrrolidin-1-yl]-2-(5-isocyanothiophen-2-yl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[3-[2-cyanoethyl(2-thenyl)amino]pyrrolidino]-2-(5-isocyano-2-thienyl)-2-isopropyl-valeronitrile Formula: C25H31N5S2 MolecularWeight: 465.67714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(C1)N(CCC#N)CC2=CC=CS2)(C#N)C3=CC=C(S3)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCC(C1)N(CCC#N)CC2=CC=CS2)(C#N)C3=CC=C(S3)[N+]#[C-]

InChI

InChI=1S/C25H31N5S2/c1-20(2)25(19-27,23-8-9-24(28-3)32-23)11-5-13-29-15-10-21(17-29)30(14-6-12-26)18-22-7-4-16-31-22/h4,7-9,16,20-21H,5-6,10-11,13-15,17-18H2,1-2H3