(2-cyano-5-methyl-pyrrol-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-cyano-5-methyl-pyrrol-1-yl) 4-methylbenzenesulfonate Openeye Name: (2-cyano-5-methyl-pyrrol-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-cyano-5-methyl-1-pyrrolyl) ester IUPAC Name: (2-cyano-5-methylpyrrol-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-cyano-5-methyl-pyrrol-1-yl) ester Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S/c1-10-3-7-13(8-4-10)19(16,17)18-15-11(2)5-6-12(15)9-14/h3-8H,1-2H3