N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)-2-(2-pyrimidylthio)acetamide Formula: C18H22N5OS2+ MolecularWeight: 388.53018

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C([NH2+]1)(C)C)SC(=C2C#N)NC(=O)CSC3=NC=CC=N3)C

Isomeric SMILES

CC1(CC2=C(C([NH2+]1)(C)C)SC(=C2C#N)NC(=O)CSC3=NC=CC=N3)C

InChI

InChI=1S/C18H21N5OS2/c1-17(2)8-11-12(9-19)15(26-14(11)18(3,4)23-17)22-13(24)10-25-16-20-6-5-7-21-16/h5-7,23H,8,10H2,1-4H3,(H,22,24)/p+1