[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]phenyl] ester Formula: C22H13ClN2O3S2 MolecularWeight: 452.93322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)Cl)/C#N

InChI

InChI=1S/C22H13ClN2O3S2/c23-17-7-11-19(12-8-17)30(26,27)28-18-9-5-15(6-10-18)13-16(14-24)22-25-20-3-1-2-4-21(20)29-22/h1-13H/b16-13+