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

Systemtic Name: [3-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester IUPAC Name: [3-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=NN3C=NN=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S/c1-13-5-7-16(8-6-13)24(21,22)23-15-4-2-3-14(9-15)10-19-20-11-17-18-12-20/h2-12H,1H3/b19-10+