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

Systemtic Name: N-[4-[2-azanyl-5-cyano-3-isocyano-6-(pyridin-2-ylmethylsulfanyl)pyridin-4-yl]phenyl]ethanamide Openeye Name: N-[4-[2-amino-5-cyano-3-isocyano-6-(2-pyridylmethylsulfanyl)-4-pyridyl]phenyl]acetamide CAS Name: N-[4-[2-amino-5-cyano-3-isocyano-6-(2-pyridinylmethylthio)-4-pyridinyl]phenyl]acetamide IUPAC Name: N-[4-[2-amino-5-cyano-3-isocyano-6-(pyridin-2-ylmethylsulfanyl)pyridin-4-yl]phenyl]acetamide Traditional Name: N-[4-[2-amino-5-cyano-3-isocyano-6-(2-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(=C2[N+]#[C-])N)SCC3=CC=CC=N3)C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=C(C(=NC(=C2[N+]#[C-])N)SCC3=CC=CC=N3)C#N

InChI

InChI=1S/C21H16N6OS/c1-13(28)26-15-8-6-14(7-9-15)18-17(11-22)21(27-20(23)19(18)24-2)29-12-16-5-3-4-10-25-16/h3-10H,12H2,1H3,(H2,23,27)(H,26,28)