(1-phenylpyrazol-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C18H14N4O2S2 MolecularWeight: 382.45936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C18H14N4O2S2/c23-16(11-26-18-15-6-7-25-17(15)19-12-20-18)24-10-13-8-21-22(9-13)14-4-2-1-3-5-14/h1-9,12H,10-11H2