3-(2-fluorophenyl)-4-methyl-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(2-fluorophenyl)-4-methyl-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(2-fluorophenyl)-4-methyl-5-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-fluorophenyl)-4-methyl-5-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(2-fluorophenyl)-4-methyl-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(2-fluorophenyl)-4-methyl-5-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1,2,4-triazole Formula: C18H19FN4O3S2 MolecularWeight: 422.496863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(O2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(O2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4F

InChI

InChI=1S/C18H19FN4O3S2/c1-22-17(14-6-2-3-7-15(14)19)20-21-18(22)27-12-13-8-9-16(26-13)28(24,25)23-10-4-5-11-23/h2-3,6-9H,4-5,10-12H2,1H3