dodecane-1-thiol; 1-ethenylpyrrolidin-2-one; prop-2-enamide

Systemtic Name: dodecane-1-thiol; 1-ethenylpyrrolidin-2-one; prop-2-enamide Openeye Name: dodecane-1-thiol; prop-2-enamide; 1-vinylpyrrolidin-2-one CAS Name: 1-dodecanethiol; 1-ethenyl-2-pyrrolidinone; 2-propenamide IUPAC Name: dodecane-1-thiol; 1-ethenylpyrrolidin-2-one; prop-2-enamide Traditional Name: acrylamide; dodecane-1-thiol; 1-vinyl-2-pyrrolidone Formula: C21H40N2O2S MolecularWeight: 384.6195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS.C=CC(=O)N.C=CN1CCCC1=O

Isomeric SMILES

CCCCCCCCCCCCS.C=CC(=O)N.C=CN1CCCC1=O

InChI

InChI=1S/C12H26S.C6H9NO.C3H5NO/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-7-5-3-4-6(7)8;1-2-3(4)5/h13H,2-12H2,1H3;2H,1,3-5H2;2H,1H2,(H2,4,5)