1-[5-[(4-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine

Systemtic Name: 1-[5-[(4-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-[(4-bromophenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(4-bromophenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-[(4-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-[(4-bromobenzyl)thio]-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propylamine Formula: C17H23BrN4OS MolecularWeight: 411.35972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2CCCO2)SCC3=CC=C(C=C3)Br)N

Isomeric SMILES

CCC(C1=NN=C(N1CC2CCCO2)SCC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C17H23BrN4OS/c1-2-15(19)16-20-21-17(22(16)10-14-4-3-9-23-14)24-11-12-5-7-13(18)8-6-12/h5-8,14-15H,2-4,9-11,19H2,1H3