3-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-oxidanylidene-pent-2-en-2-olate

Systemtic Name: 3-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-oxidanylidene-pent-2-en-2-olate Openeye Name: 3-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-oxo-pent-2-en-2-olate CAS Name: 3-[[5-(4-bromophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-4-oxo-2-penten-2-olate IUPAC Name: 3-[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-oxopent-2-en-2-olate Traditional Name: 3-[[5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]-4-keto-pent-2-en-2-olate Formula: C17H12BrN2O2S2- MolecularWeight: 420.32338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

CC(=C(C(=O)C)SC1=NC=NC2=C1C(=CS2)C3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C17H13BrN2O2S2/c1-9(21)15(10(2)22)24-17-14-13(7-23-16(14)19-8-20-17)11-3-5-12(18)6-4-11/h3-8,21H,1-2H3/p-1