2-(3-ethyl-3-methyl-4-nitro-5-sulfanylidene-4H-imidazol-3-ium-2-yl)pyrimidine-5-carbonitrile

Systemtic Name: 2-(3-ethyl-3-methyl-4-nitro-5-sulfanylidene-4H-imidazol-3-ium-2-yl)pyrimidine-5-carbonitrile Openeye Name: 2-(3-ethyl-3-methyl-4-nitro-5-thioxo-4H-imidazol-3-ium-2-yl)pyrimidine-5-carbonitrile CAS Name: 2-(3-ethyl-3-methyl-4-nitro-5-sulfanylidene-4H-imidazol-3-ium-2-yl)-5-pyrimidinecarbonitrile IUPAC Name: 2-(3-ethyl-3-methyl-4-nitro-5-sulfanylidene-4H-imidazol-3-ium-2-yl)pyrimidine-5-carbonitrile Traditional Name: 2-(1-ethyl-1-methyl-5-nitro-4-thioxo-2-imidazolin-1-ium-2-yl)pyrimidine-5-carbonitrile Formula: C11H11N6O2S+ MolecularWeight: 291.30904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(C(=S)N=C1C2=NC=C(C=N2)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC[N+]1(C(C(=S)N=C1C2=NC=C(C=N2)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C11H11N6O2S/c1-3-17(2)9(15-10(20)11(17)16(18)19)8-13-5-7(4-12)6-14-8/h5-6,11H,3H2,1-2H3/q+1