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

Systemtic Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]-1-methyl-1,2,4-triazole Openeye Name: 3-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]-1-methyl-1,2,4-triazole CAS Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-1-methyl-1,2,4-triazole IUPAC Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-1-methyl-1,2,4-triazole Traditional Name: 3-[5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]-1-methyl-1,2,4-triazole Formula: C20H21FN4O2S MolecularWeight: 400.469743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=NN(C=N3)C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=NN(C=N3)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4O2S/c1-14-3-9-17(10-4-14)28(26,27)25-18(15-5-7-16(21)8-6-15)11-12-19(25)20-22-13-24(2)23-20/h3-10,13,18-19H,11-12H2,1-2H3