1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]-2-methyl-3H-1,2,4-triazole

Systemtic Name: 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]-2-methyl-3H-1,2,4-triazole Openeye Name: 1-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]-2-methyl-3H-1,2,4-triazole CAS Name: 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-2-methyl-3H-1,2,4-triazole IUPAC Name: 1-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-methyl-3H-1,2,4-triazole Traditional Name: 1-[5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]-2-methyl-3H-1,2,4-triazole Formula: C20H23FN4O2S MolecularWeight: 402.485623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2N3C=NCN3C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2N3C=NCN3C)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H23FN4O2S/c1-15-3-9-18(10-4-15)28(26,27)25-19(16-5-7-17(21)8-6-16)11-12-20(25)24-14-22-13-23(24)2/h3-10,14,19-20H,11-13H2,1-2H3