ethane-1,2-diol; [3-[1-(3-ethylthiomorpholin-4-yl)propan-2-yl]phenyl]-phenyl-methanone

Systemtic Name: ethane-1,2-diol; [3-[1-(3-ethylthiomorpholin-4-yl)propan-2-yl]phenyl]-phenyl-methanone Openeye Name: ethylene glycol; [3-[2-(3-ethylthiomorpholin-4-yl)-1-methyl-ethyl]phenyl]-phenyl-methanone CAS Name: ethane-1,2-diol; [3-[1-(3-ethyl-4-thiomorpholinyl)propan-2-yl]phenyl]-phenylmethanone IUPAC Name: ethane-1,2-diol; [3-[1-(3-ethylthiomorpholin-4-yl)propan-2-yl]phenyl]-phenylmethanone Traditional Name: ethylene glycol; [3-[2-(3-ethylthiomorpholin-4-yl)-1-methyl-ethyl]phenyl]-phenyl-methanone Formula: C24H33NO3S MolecularWeight: 415.58872

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CSCCN1CC(C)C2=CC=CC(=C2)C(=O)C3=CC=CC=C3.C(CO)O

Isomeric SMILES

CCC1CSCCN1CC(C)C2=CC=CC(=C2)C(=O)C3=CC=CC=C3.C(CO)O

InChI

InChI=1S/C22H27NOS.C2H6O2/c1-3-21-16-25-13-12-23(21)15-17(2)19-10-7-11-20(14-19)22(24)18-8-5-4-6-9-18;3-1-2-4/h4-11,14,17,21H,3,12-13,15-16H2,1-2H3;3-4H,1-2H2