(4-cyano-5-methylsulfanyl-1,2-thiazol-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-cyano-5-methylsulfanyl-1,2-thiazol-3-yl) 4-methylbenzenesulfonate Openeye Name: (4-cyano-5-methylsulfanyl-isothiazol-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-cyano-5-(methylthio)-3-isothiazolyl] ester IUPAC Name: (4-cyano-5-methylsulfanyl-1,2-thiazol-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-cyano-5-(methylthio)isothiazol-3-yl] ester Formula: C12H10N2O3S3 MolecularWeight: 326.4144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NSC(=C2C#N)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NSC(=C2C#N)SC

InChI

InChI=1S/C12H10N2O3S3/c1-8-3-5-9(6-4-8)20(15,16)17-11-10(7-13)12(18-2)19-14-11/h3-6H,1-2H3