(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-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 (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C19H15ClN4O2S2 MolecularWeight: 430.931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)CSC2=NC=NC3=C2C=CS3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)CSC2=NC=NC3=C2C=CS3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C19H15ClN4O2S2/c1-12-15(17(20)24(23-12)13-5-3-2-4-6-13)9-26-16(25)10-28-19-14-7-8-27-18(14)21-11-22-19/h2-8,11H,9-10H2,1H3