[4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCC1=NNC(=S)N1/N=C\C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C19H20N4O4S2/c1-4-18-21-22-19(28)23(18)20-12-14-7-10-16(17(11-14)26-3)27-29(24,25)15-8-5-13(2)6-9-15/h5-12H,4H2,1-3H3,(H,22,28)/b20-12-