1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid 1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C2=CN=CC=C2)OC(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

Isomeric SMILES

CC(C1=NC(=NO1)C2=CN=CC=C2)OC(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

InChI

InChI=1S/C20H17N5O3S/c1-11(18-24-17(25-28-18)13-4-3-7-22-10-13)27-20(26)14-8-16(12-5-6-12)23-19(29-2)15(14)9-21/h3-4,7-8,10-12H,5-6H2,1-2H3