5-cyano-6-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethyl-pyridine-3-carboxamide

Systemtic Name: 5-cyano-6-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethyl-pyridine-3-carboxamide Openeye Name: 5-cyano-6-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanyl-4-(2-furyl)-N,2-dimethyl-pyridine-3-carboxamide CAS Name: 5-cyano-6-[[2-(cycloheptylamino)-2-oxoethyl]thio]-4-(2-furanyl)-N,2-dimethyl-3-pyridinecarboxamide IUPAC Name: 5-cyano-6-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-N,2-dimethylpyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-(cycloheptylamino)-2-keto-ethyl]thio]-4-(2-furyl)-N,2-dimethyl-nicotinamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)NC2CCCCCC2)C#N)C3=CC=CO3)C(=O)NC

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)NC2CCCCCC2)C#N)C3=CC=CO3)C(=O)NC

InChI

InChI=1S/C22H26N4O3S/c1-14-19(21(28)24-2)20(17-10-7-11-29-17)16(12-23)22(25-14)30-13-18(27)26-15-8-5-3-4-6-9-15/h7,10-11,15H,3-6,8-9,13H2,1-2H3,(H,24,28)(H,26,27)