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

Systemtic Name: 1-[4-(oxolan-2-ylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-benzylsulfanyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[4-(2-oxolanylmethyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-benzylsulfanyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-(benzylthio)-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propylamine Formula: C17H24N4OS MolecularWeight: 332.46366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4OS/c1-2-15(18)16-19-20-17(21(16)11-14-9-6-10-22-14)23-12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12,18H2,1H3