5-[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,2,4-triazole-3-thiolate CAS Name: 5-[5-tert-butyl-2-[(4-fluorophenyl)methyl]-3-pyrazolyl]-4-methyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[5-tert-butyl-2-(4-fluorobenzyl)pyrazol-3-yl]-4-methyl-1,2,4-triazole-3-thiolate Formula: C17H19FN5S- MolecularWeight: 344.429663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C2=NN=C(N2C)[S-])CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C2=NN=C(N2C)[S-])CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H20FN5S/c1-17(2,3)14-9-13(15-19-20-16(24)22(15)4)23(21-14)10-11-5-7-12(18)8-6-11/h5-9H,10H2,1-4H3,(H,20,24)/p-1