[2-chloranyl-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-chloranyl-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-chloro-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-chloro-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester IUPAC Name: [2-chloro-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-chloro-6-methoxy-4-[(E)-1,2,4-triazol-4-yliminomethyl]phenyl] ester Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C=NN3C=NN=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)/C=N/N3C=NN=C3)OC

InChI

InChI=1S/C17H15ClN4O4S/c1-12-3-5-14(6-4-12)27(23,24)26-17-15(18)7-13(8-16(17)25-2)9-21-22-10-19-20-11-22/h3-11H,1-2H3/b21-9+