2-azanyl-6-(3-methylbutylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(3-methylbutylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-isopentylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(3-methylbutylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(3-methylbutylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(isoamylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C12H15N4S+ MolecularWeight: 247.3393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

Isomeric SMILES

CC(C)CCSC1=C(C=C(C(=[NH+]1)N)C#N)C#N

InChI

InChI=1S/C12H14N4S/c1-8(2)3-4-17-12-10(7-14)5-9(6-13)11(15)16-12/h5,8H,3-4H2,1-2H3,(H2,15,16)/p+1