2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-3-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-ethyl-3-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-6-ethyl-3-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-6-ethyl-3-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-6-ethyl-3-phenyl-4aH-thieno[2,3-d]pyrimidin-3-ium-4-one Formula: C22H18BrN2O2S2+ MolecularWeight: 486.42452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2C(=NC(=[N+](C2=O)C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br)S1

Isomeric SMILES

CCC1=CC2C(=NC(=[N+](C2=O)C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)Br)S1

InChI

InChI=1S/C22H18BrN2O2S2/c1-2-17-12-18-20(29-17)24-22(25(21(18)27)16-6-4-3-5-7-16)28-13-19(26)14-8-10-15(23)11-9-14/h3-12,18H,2,13H2,1H3/q+1