[2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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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=NN=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=N\N3C=NN=C3)OC

InChI

InChI=1S/C18H18N4O4S/c1-13-4-5-14(2)18(8-13)27(23,24)26-16-7-6-15(9-17(16)25-3)10-21-22-11-19-20-12-22/h4-12H,1-3H3/b21-10-