N-[4-[2-azanyl-3,5-dicyano-6-(pyridin-3-ylmethylsulfanyl)pyridin-4-yl]phenyl]ethanamide

Systemtic Name: N-[4-[2-azanyl-3,5-dicyano-6-(pyridin-3-ylmethylsulfanyl)pyridin-4-yl]phenyl]ethanamide Openeye Name: N-[4-[2-amino-3,5-dicyano-6-(3-pyridylmethylsulfanyl)-4-pyridyl]phenyl]acetamide CAS Name: N-[4-[2-amino-3,5-dicyano-6-(3-pyridinylmethylthio)-4-pyridinyl]phenyl]acetamide IUPAC Name: N-[4-[2-amino-3,5-dicyano-6-(pyridin-3-ylmethylsulfanyl)pyridin-4-yl]phenyl]acetamide Traditional Name: N-[4-[2-amino-3,5-dicyano-6-(3-pyridylmethylthio)-4-pyridyl]phenyl]acetamide Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CN=CC=C3)N)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CN=CC=C3)N)C#N

InChI

InChI=1S/C21H16N6OS/c1-13(28)26-16-6-4-15(5-7-16)19-17(9-22)20(24)27-21(18(19)10-23)29-12-14-3-2-8-25-11-14/h2-8,11H,12H2,1H3,(H2,24,27)(H,26,28)