ethyl 4-[3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H21N5O3S/c1-2-33-25(32)17-8-10-18(11-9-17)29-21(31)12-13-34-24-20(15-27)22(16-6-4-3-5-7-16)19(14-26)23(28)30-24/h3-11H,2,12-13H2,1H3,(H2,28,30)(H,29,31)