3-aminocarbonyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-4-carbodithioic acid

Systemtic Name: 3-aminocarbonyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-4-carbodithioic acid Openeye Name: 3-carbamoyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-4-carbodithioic acid CAS Name: 3-carbamoyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-4-carbodithioic acid IUPAC Name: 3-carbamoyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-4-carbodithioic acid Traditional Name: 3-carbamoyl-7-[3-(trifluoromethyl)phenyl]-5H-pyrazolo[1,5-a]pyrimidine-4-carbodithioic acid Formula: C15H11F3N4OS2 MolecularWeight: 384.39925

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(=C(C=N2)C(=O)N)N1C(=S)S)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1C=C(N2C(=C(C=N2)C(=O)N)N1C(=S)S)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C15H11F3N4OS2/c16-15(17,18)9-3-1-2-8(6-9)11-4-5-21(14(24)25)13-10(12(19)23)7-20-22(11)13/h1-4,6-7H,5H2,(H2,19,23)(H,24,25)