[2-methoxy-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(Z)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl] ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3C=NNC3=S)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N\N3C=NNC3=S)OC

InChI

InChI=1S/C17H16N4O4S2/c1-12-3-6-14(7-4-12)27(22,23)25-15-8-5-13(9-16(15)24-2)10-19-21-11-18-20-17(21)26/h3-11H,1-2H3,(H,20,26)/b19-10-