2-azanyl-6-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]pyridin-1-ium-3,5-dicarbonitrile Formula: C14H15N6O2S+ MolecularWeight: 331.3729

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C2=C(C(=C(C(=[NH+]2)N)C#N)CC#N)C#N

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C2=C(C(=C(C(=[NH+]2)N)C#N)CC#N)C#N

InChI

InChI=1S/C14H14N6O2S/c1-20(9-3-5-23(21,22)8-9)14-12(7-17)10(2-4-15)11(6-16)13(18)19-14/h9H,2-3,5,8H2,1H3,(H2,18,19)/p+1/t9-/m0/s1