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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-(2-oxolanylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-5-pyrrolidin-2-yl-4-(tetrahydrofurfuryl)-1,2,4-triazole Formula: C18H23BrN4OS MolecularWeight: 423.37042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NN=C(N2CC3CCCO3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C1CC(NC1)C2=NN=C(N2CC3CCCO3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C18H23BrN4OS/c19-14-5-1-4-13(10-14)12-25-18-22-21-17(16-7-2-8-20-16)23(18)11-15-6-3-9-24-15/h1,4-5,10,15-16,20H,2-3,6-9,11-12H2