N-(1-cyanocycloheptyl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]acetamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CSC2=NC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H26N4O2S/c21-15-20(9-3-1-2-4-10-20)23-17(25)14-27-18-8-7-16(13-22-18)19(26)24-11-5-6-12-24/h7-8,13H,1-6,9-12,14H2,(H,23,25)