(4-chloranyl-2-cyano-pyrrol-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-chloranyl-2-cyano-pyrrol-1-yl) 4-methylbenzenesulfonate Openeye Name: (4-chloro-2-cyano-pyrrol-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-chloro-2-cyano-1-pyrrolyl) ester IUPAC Name: (4-chloro-2-cyanopyrrol-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-chloro-2-cyano-pyrrol-1-yl) ester Formula: C12H9ClN2O3S MolecularWeight: 296.72946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C=C(C=C2C#N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C=C(C=C2C#N)Cl

InChI

InChI=1S/C12H9ClN2O3S/c1-9-2-4-12(5-3-9)19(16,17)18-15-8-10(13)6-11(15)7-14/h2-6,8H,1H3