[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] benzenesulfonate

Systemtic Name: [4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] benzenesulfonate Openeye Name: [4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester IUPAC Name: [4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NN3C=NN=C3

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O3S/c20-23(21,15-4-2-1-3-5-15)22-14-8-6-13(7-9-14)10-18-19-11-16-17-12-19/h1-12H/b18-10+