[4-[3,5-dicyano-2-(2-oxidanylidenepentyl)-6-sulfanylidene-1H-pyridin-4-yl]phenyl] butanoate

Systemtic Name: [4-[3,5-dicyano-2-(2-oxidanylidenepentyl)-6-sulfanylidene-1H-pyridin-4-yl]phenyl] butanoate Openeye Name: [4-[3,5-dicyano-2-(2-oxopentyl)-6-thioxo-1H-pyridin-4-yl]phenyl] butanoate CAS Name: butanoic acid [4-[3,5-dicyano-2-(2-oxopentyl)-6-sulfanylidene-1H-pyridin-4-yl]phenyl] ester IUPAC Name: [4-[3,5-dicyano-2-(2-oxopentyl)-6-sulfanylidene-1H-pyridin-4-yl]phenyl] butanoate Traditional Name: butyric acid [4-[3,5-dicyano-2-(2-ketopentyl)-6-thioxo-1H-pyridin-4-yl]phenyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CC1=C(C(=C(C(=S)N1)C#N)C2=CC=C(C=C2)OC(=O)CCC)C#N

Isomeric SMILES

CCCC(=O)CC1=C(C(=C(C(=S)N1)C#N)C2=CC=C(C=C2)OC(=O)CCC)C#N

InChI

InChI=1S/C22H21N3O3S/c1-3-5-15(26)11-19-17(12-23)21(18(13-24)22(29)25-19)14-7-9-16(10-8-14)28-20(27)6-4-2/h7-10H,3-6,11H2,1-2H3,(H,25,29)