4,6-dimethyl-2-sulfanylidene-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-sulfanylidene-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-2-thioxo-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-sulfanylidene-1-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-sulfanylidene-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-2-thioxo-nicotinonitrile Formula: C17H20N3S2+ MolecularWeight: 330.4908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCCC2C3=CC=CS3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCC[C@@H]2C3=CC=CS3)C#N)C

InChI

InChI=1S/C17H19N3S2/c1-12-9-13(2)20(17(21)14(12)10-18)11-19-7-3-5-15(19)16-6-4-8-22-16/h4,6,8-9,15H,3,5,7,11H2,1-2H3/p+1/t15-/m1/s1