1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C13H11N4O2S+ MolecularWeight: 287.31704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)NC2=C(C=CS2)C#N)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)NC2=C(C=CS2)C#N)C(=O)N

InChI

InChI=1S/C13H10N4O2S/c14-6-9-3-5-20-13(9)16-11(18)8-17-4-1-2-10(7-17)12(15)19/h1-5,7H,8H2,(H2-,15,16,18,19)/p+1