[4-[(3-chloranyl-4-cyano-1,2-thiazol-5-yl)oxy]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(3-chloranyl-4-cyano-1,2-thiazol-5-yl)oxy]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(3-chloro-4-cyano-isothiazol-5-yl)oxyphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(3-chloro-4-cyano-5-isothiazolyl)oxy]phenyl] ester IUPAC Name: [4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(3-chloro-4-cyano-isothiazol-5-yl)oxyphenyl] ester Formula: C17H11ClN2O4S2 MolecularWeight: 406.86324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=C(C(=NS3)Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=C(C(=NS3)Cl)C#N

InChI

InChI=1S/C17H11ClN2O4S2/c1-11-2-8-14(9-3-11)26(21,22)24-13-6-4-12(5-7-13)23-17-15(10-19)16(18)20-25-17/h2-9H,1H3