4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrimidine-2-thiolate

Systemtic Name: 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrimidine-2-thiolate Openeye Name: 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]pyrimidine-2-thiolate CAS Name: 4-[5-[1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenyl]-2-pyrimidinethiolate IUPAC Name: 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrimidine-2-thiolate Traditional Name: 4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]pyrimidine-2-thiolate Formula: C13H8F3N4S2- MolecularWeight: 341.35463

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(S2)C3=NC(=NC=C3)[S-])C(F)(F)F

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(S2)C3=NC(=NC=C3)[S-])C(F)(F)F

InChI

InChI=1S/C13H9F3N4S2/c1-20-11(13(14,15)16)6-8(19-20)10-3-2-9(22-10)7-4-5-17-12(21)18-7/h2-6H,1H3,(H,17,18,21)/p-1