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

Systemtic Name: (4-cyano-5-phenyl-1,2-thiazol-3-yl) 4-methylbenzenesulfonate Openeye Name: (4-cyano-5-phenyl-isothiazol-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-cyano-5-phenyl-3-isothiazolyl) ester IUPAC Name: (4-cyano-5-phenyl-1,2-thiazol-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-cyano-5-phenyl-isothiazol-3-yl) ester Formula: C17H12N2O3S2 MolecularWeight: 356.41878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NSC(=C2C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NSC(=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H12N2O3S2/c1-12-7-9-14(10-8-12)24(20,21)22-17-15(11-18)16(23-19-17)13-5-3-2-4-6-13/h2-10H,1H3