2-[2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C20H14N4O2S2 MolecularWeight: 406.48076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)CSC4=CC=CC=[N+]4[O-])CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)CSC4=CC=CC=[N+]4[O-])CC#N

InChI

InChI=1S/C20H14N4O2S2/c21-9-11-23-16(13-27-17-8-4-5-10-24(17)26)22-19-18(20(23)25)15(12-28-19)14-6-2-1-3-7-14/h1-8,10,12H,11,13H2