3-[4-(diphenylmethyl)oxy-1,2,5-thiadiazol-3-yl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-(diphenylmethyl)oxy-1,2,5-thiadiazol-3-yl]pentan-3-ylphosphonic acid Openeye Name: [1-(4-benzhydryloxy-1,2,5-thiadiazol-3-yl)-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-(diphenylmethyl)oxy-1,2,5-thiadiazol-3-yl]pentan-3-ylphosphonic acid IUPAC Name: 3-(4-benzhydryloxy-1,2,5-thiadiazol-3-yl)pentan-3-ylphosphonic acid Traditional Name: [1-(4-benzhydryloxy-1,2,5-thiadiazol-3-yl)-1-ethyl-propyl]phosphonic acid Formula: C20H23N2O4PS MolecularWeight: 418.446381

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=NSN=C1OC(C2=CC=CC=C2)C3=CC=CC=C3)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=NSN=C1OC(C2=CC=CC=C2)C3=CC=CC=C3)P(=O)(O)O

InChI

InChI=1S/C20H23N2O4PS/c1-3-20(4-2,27(23,24)25)18-19(22-28-21-18)26-17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3,(H2,23,24,25)