1-bis(oxidanyl)phosphinothioyloxy-2-[5-(4-octylphenyl)-1H-imidazol-2-yl]propan-2-amine

Systemtic Name: 1-bis(oxidanyl)phosphinothioyloxy-2-[5-(4-octylphenyl)-1H-imidazol-2-yl]propan-2-amine Openeye Name: 1-dihydroxyphosphinothioyloxy-2-[5-(4-octylphenyl)-1H-imidazol-2-yl]propan-2-amine CAS Name: 1-dihydroxyphosphinothioyloxy-2-[5-(4-octylphenyl)-1H-imidazol-2-yl]-2-propanamine IUPAC Name: 1-dihydroxyphosphinothioyloxy-2-[5-(4-octylphenyl)-1H-imidazol-2-yl]propan-2-amine Traditional Name: [2-dihydroxythiophosphoryloxy-1-methyl-1-[5-(4-octylphenyl)-1H-imidazol-2-yl]ethyl]amine Formula: C20H32N3O3PS MolecularWeight: 425.525141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N2)C(C)(COP(=S)(O)O)N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N2)C(C)(COP(=S)(O)O)N

InChI

InChI=1S/C20H32N3O3PS/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)18-14-22-19(23-18)20(2,21)15-26-27(24,25)28/h10-14H,3-9,15,21H2,1-2H3,(H,22,23)(H2,24,25,28)