2-[6-azanyl-3-cyano-5-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[6-azanyl-3-cyano-5-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[6-amino-3-cyano-5-(4-phenylthiazol-2-yl)pyridin-1-ium-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[6-amino-3-cyano-5-(4-phenyl-2-thiazolyl)-2-pyridin-1-iumyl]thio]-N-phenylacetamide IUPAC Name: 2-[6-amino-3-cyano-5-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[6-amino-3-cyano-5-(4-phenylthiazol-2-yl)pyridin-1-ium-2-yl]thio]-N-phenyl-acetamide Formula: C23H18N5OS2+ MolecularWeight: 444.55192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)C3=C([NH+]=C(C(=C3)C#N)SCC(=O)NC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)C3=C([NH+]=C(C(=C3)C#N)SCC(=O)NC4=CC=CC=C4)N

InChI

InChI=1S/C23H17N5OS2/c24-12-16-11-18(23-27-19(13-30-23)15-7-3-1-4-8-15)21(25)28-22(16)31-14-20(29)26-17-9-5-2-6-10-17/h1-11,13H,14H2,(H2,25,28)(H,26,29)/p+1