[4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]phenyl] benzenesulfonate

Systemtic Name: [4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]phenyl] benzenesulfonate Openeye Name: [4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[2-[2-(1H-imidazol-5-yl)ethylthio]-1H-imidazol-5-yl]phenyl] ester IUPAC Name: [4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[2-[2-(1H-imidazol-5-yl)ethylthio]-1H-imidazol-5-yl]phenyl] ester Formula: C20H18N4O3S2 MolecularWeight: 426.51192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=CN=C(N3)SCCC4=CN=CN4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C3=CN=C(N3)SCCC4=CN=CN4

InChI

InChI=1S/C20H18N4O3S2/c25-29(26,18-4-2-1-3-5-18)27-17-8-6-15(7-9-17)19-13-22-20(24-19)28-11-10-16-12-21-14-23-16/h1-9,12-14H,10-11H2,(H,21,23)(H,22,24)