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

Systemtic Name: 1-[5-[(3-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-[(3-bromophenyl)methylsulfanyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(3-bromophenyl)methylthio]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-[(3-bromophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-[(3-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(=CC=C3)Br)N

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN4OS/c1-2-15(19)16-20-21-17(22(16)10-14-7-4-8-23-14)24-11-12-5-3-6-13(18)9-12/h3,5-6,9,14-15H,2,4,7-8,10-11,19H2,1H3