pyrimidin-2-ylsulfanylmethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: pyrimidin-2-ylsulfanylmethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: pyrimidin-2-ylsulfanylmethyl 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-pyrimidinylthio)methyl ester IUPAC Name: pyrimidin-2-ylsulfanylmethyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxylic acid (2-pyrimidylthio)methyl ester Formula: C18H14N4O2S2 MolecularWeight: 382.45936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCSC3=NC=CC=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCSC3=NC=CC=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H14N4O2S2/c1-12-14-10-15(17(23)24-11-25-18-19-8-5-9-20-18)26-16(14)22(21-12)13-6-3-2-4-7-13/h2-10H,11H2,1H3