[2-ethoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-ethoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-ethoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-ethoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-ethoxy-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:

CCOC1=C(C=CC(=C1)C=NN2C=NN=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N\N2C=NN=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H18N4O4S/c1-3-25-18-10-15(11-21-22-12-19-20-13-22)6-9-17(18)26-27(23,24)16-7-4-14(2)5-8-16/h4-13H,3H2,1-2H3/b21-11-