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

Systemtic Name: [4-[2-(butanoylamino)-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl]phenyl] butanoate Openeye Name: [4-[2-(butanoylamino)-3,5-dicyano-6-thioxo-1H-pyridin-4-yl]phenyl] butanoate CAS Name: butanoic acid [4-[3,5-dicyano-2-(1-oxobutylamino)-6-sulfanylidene-1H-pyridin-4-yl]phenyl] ester IUPAC Name: [4-[2-(butanoylamino)-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl]phenyl] butanoate Traditional Name: butyric acid [4-(2-butyramido-3,5-dicyano-6-thioxo-1H-pyridin-4-yl)phenyl] ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(C(=S)N1)C#N)C2=CC=C(C=C2)OC(=O)CCC)C#N

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(C(=S)N1)C#N)C2=CC=C(C=C2)OC(=O)CCC)C#N

InChI

InChI=1S/C21H20N4O3S/c1-3-5-17(26)24-20-15(11-22)19(16(12-23)21(29)25-20)13-7-9-14(10-8-13)28-18(27)6-4-2/h7-10H,3-6H2,1-2H3,(H2,24,25,26,29)