3-[(4-bromophenyl)methylsulfonyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfonyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfonyl]-5-pyrrolidin-2-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylsulfonyl]-4-(2-oxolanylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfonyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-(4-bromobenzyl)sulfonyl-5-pyrrolidin-2-yl-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C18H23BrN4O3S MolecularWeight: 455.36922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NN=C(N2CC3CCCO3)S(=O)(=O)CC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(NC1)C2=NN=C(N2CC3CCCO3)S(=O)(=O)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C18H23BrN4O3S/c19-14-7-5-13(6-8-14)12-27(24,25)18-22-21-17(16-4-1-9-20-16)23(18)11-15-3-2-10-26-15/h5-8,15-16,20H,1-4,9-12H2