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

Systemtic Name: 3-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(4-fluorophenyl)methylsulfonyl]-4-(p-tolylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methylphenyl)methyl]-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methylphenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-(4-fluorobenzyl)sulfonyl-4-(4-methylbenzyl)-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2S(=O)(=O)CC3=CC=C(C=C3)F)C4CCCN4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2S(=O)(=O)CC3=CC=C(C=C3)F)C4CCCN4

InChI

InChI=1S/C21H23FN4O2S/c1-15-4-6-16(7-5-15)13-26-20(19-3-2-12-23-19)24-25-21(26)29(27,28)14-17-8-10-18(22)11-9-17/h4-11,19,23H,2-3,12-14H2,1H3