[4-[2-azanyl-3,5-dicyano-6-(phenylmethylsulfanyl)pyridin-4-yl]phenyl] butanoate

Systemtic Name: [4-[2-azanyl-3,5-dicyano-6-(phenylmethylsulfanyl)pyridin-4-yl]phenyl] butanoate Openeye Name: [4-(2-amino-6-benzylsulfanyl-3,5-dicyano-4-pyridyl)phenyl] butanoate CAS Name: butanoic acid [4-[2-amino-3,5-dicyano-6-(phenylmethylthio)-4-pyridinyl]phenyl] ester IUPAC Name: [4-(2-amino-6-benzylsulfanyl-3,5-dicyanopyridin-4-yl)phenyl] butanoate Traditional Name: butyric acid [4-[2-amino-6-(benzylthio)-3,5-dicyano-4-pyridyl]phenyl] ester Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CC=CC=C3)N)C#N

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C24H20N4O2S/c1-2-6-21(29)30-18-11-9-17(10-12-18)22-19(13-25)23(27)28-24(20(22)14-26)31-15-16-7-4-3-5-8-16/h3-5,7-12H,2,6,15H2,1H3,(H2,27,28)