2-[bis(fluoranyl)methyl]-4-phenyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[bis(fluoranyl)methyl]-4-phenyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-(difluoromethyl)-4-phenyl-5-[3-(1-piperidylsulfonyl)phenyl]-1,2,4-triazole-3-thione CAS Name: 2-(difluoromethyl)-4-phenyl-5-[3-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazole-3-thione IUPAC Name: 2-(difluoromethyl)-4-phenyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-(difluoromethyl)-4-phenyl-5-(3-piperidinosulfonylphenyl)-1,2,4-triazole-3-thione Formula: C20H20F2N4O2S2 MolecularWeight: 450.525206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C(=S)N3C4=CC=CC=C4)C(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C(=S)N3C4=CC=CC=C4)C(F)F

InChI

InChI=1S/C20H20F2N4O2S2/c21-19(22)26-20(29)25(16-9-3-1-4-10-16)18(23-26)15-8-7-11-17(14-15)30(27,28)24-12-5-2-6-13-24/h1,3-4,7-11,14,19H,2,5-6,12-13H2