2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C23H21FN4O2S MolecularWeight: 436.501843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5F

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5F

InChI

InChI=1S/C23H21FN4O2S/c24-19-13-7-6-12-18(19)20-25-26-23(28(20)15-8-2-1-3-9-15)31-14-27-21(29)16-10-4-5-11-17(16)22(27)30/h4-7,10-13,15H,1-3,8-9,14H2