5-(2-chlorophenyl)-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(2-chlorophenyl)-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-chlorophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-chlorophenyl)-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(2-chlorophenyl)-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-chlorophenyl)-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H12ClN3O2S2 MolecularWeight: 401.88978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O2S2/c19-13-6-2-1-5-11(13)12-9-26-18-16(12)17(23)20-14(21-18)10-25-15-7-3-4-8-22(15)24/h1-9H,10H2,(H,20,21,23)