[1-(dimethylamino)-3-sulfanylidene-propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(dimethylamino)-3-sulfanylidene-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-(dimethylaminomethyl)-2-thioxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(dimethylamino)-3-sulfanylidenepropan-2-yl] ester IUPAC Name: [1-(dimethylamino)-3-sulfanylidenepropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(dimethylaminomethyl)-2-thioxo-ethyl] ester Formula: C12H17NO3S2 MolecularWeight: 287.39828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CN(C)C)C=S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CN(C)C)C=S

InChI

InChI=1S/C12H17NO3S2/c1-10-4-6-12(7-5-10)18(14,15)16-11(9-17)8-13(2)3/h4-7,9,11H,8H2,1-3H3