2-azanyl-6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(3,3-dimethyl-2-oxobutyl)thio]-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(2-keto-3,3-dimethyl-butyl)thio]-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C17H17N4OS2+ MolecularWeight: 357.47308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CS2)C#N

Isomeric SMILES

CC(C)(C)C(=O)CSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=CS2)C#N

InChI

InChI=1S/C17H16N4OS2/c1-17(2,3)13(22)9-24-16-11(8-19)14(12-5-4-6-23-12)10(7-18)15(20)21-16/h4-6H,9H2,1-3H3,(H2,20,21)/p+1