2-azanyl-6-(cyanomethylsulfanyl)-4-cyclohexyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(cyanomethylsulfanyl)-4-cyclohexyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(cyanomethylthio)-4-cyclohexylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(cyanomethylthio)-4-cyclohexyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C15H16N5S+ MolecularWeight: 298.38604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=[NH+]C(=C2C#N)SCC#N)N)C#N

Isomeric SMILES

C1CCC(CC1)C2=C(C(=[NH+]C(=C2C#N)SCC#N)N)C#N

InChI

InChI=1S/C15H15N5S/c16-6-7-21-15-12(9-18)13(10-4-2-1-3-5-10)11(8-17)14(19)20-15/h10H,1-5,7H2,(H2,19,20)/p+1