[2-methoxy-4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(5-phenyl-2-thioxo-1H-imidazol-3-yl)iminomethyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)iminomethyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(E)-(4-phenyl-2-thioxo-4-imidazolin-1-yl)iminomethyl]phenyl] ester Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3C=C(NC3=S)C4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/N3C=C(NC3=S)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H23N3O4S2/c1-17-9-10-18(2)24(13-17)34(29,30)32-22-12-11-19(14-23(22)31-3)15-26-28-16-21(27-25(28)33)20-7-5-4-6-8-20/h4-16H,1-3H3,(H,27,33)/b26-15+