4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(4-chlorophenyl)-4-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoate IUPAC Name: 4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]thio]methyl]benzoate Formula: C20H12ClN2O2S2- MolecularWeight: 411.90448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C20H13ClN2O2S2/c21-15-7-5-13(6-8-15)16-10-27-19-17(16)18(22-11-23-19)26-9-12-1-3-14(4-2-12)20(24)25/h1-8,10-11H,9H2,(H,24,25)/p-1