2-azanyl-4-(2-methylpropyl)-6-methylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(2-methylpropyl)-6-methylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-isobutyl-6-methylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(2-methylpropyl)-6-(methylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(2-methylpropyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-isobutyl-6-(methylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C12H15N4S+ MolecularWeight: 247.3393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=[NH+]C(=C1C#N)SC)N)C#N

Isomeric SMILES

CC(C)CC1=C(C(=[NH+]C(=C1C#N)SC)N)C#N

InChI

InChI=1S/C12H14N4S/c1-7(2)4-8-9(5-13)11(15)16-12(17-3)10(8)6-14/h7H,4H2,1-3H3,(H2,15,16)/p+1