2-azanyl-6-phenacylsulfanyl-4-propan-2-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-phenacylsulfanyl-4-propan-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-isopropyl-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(phenacylthio)-4-propan-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-phenacylsulfanyl-4-propan-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-isopropyl-6-(phenacylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C18H17N4OS+ MolecularWeight: 337.41878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=CC=C2)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=CC=C2)N)C#N

InChI

InChI=1S/C18H16N4OS/c1-11(2)16-13(8-19)17(21)22-18(14(16)9-20)24-10-15(23)12-6-4-3-5-7-12/h3-7,11H,10H2,1-2H3,(H2,21,22)/p+1