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

Systemtic Name: [4-[2-azanyl-3,5-dicyano-6-(cyanomethylsulfanyl)pyridin-4-yl]phenyl] ethanoate Openeye Name: [4-[2-amino-3,5-dicyano-6-(cyanomethylsulfanyl)-4-pyridyl]phenyl] acetate CAS Name: acetic acid [4-[2-amino-3,5-dicyano-6-(cyanomethylthio)-4-pyridinyl]phenyl] ester IUPAC Name: [4-[2-amino-3,5-dicyano-6-(cyanomethylsulfanyl)pyridin-4-yl]phenyl] acetate Traditional Name: acetic acid [4-[2-amino-3,5-dicyano-6-(cyanomethylthio)-4-pyridyl]phenyl] ester Formula: C17H11N5O2S MolecularWeight: 349.36654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC#N)N)C#N

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC#N)N)C#N

InChI

InChI=1S/C17H11N5O2S/c1-10(23)24-12-4-2-11(3-5-12)15-13(8-19)16(21)22-17(14(15)9-20)25-7-6-18/h2-5H,7H2,1H3,(H2,21,22)