[4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazono]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(E)-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(4-fluorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(E)-[(4-fluorophenyl)thiocarbamoylhydrazono]methyl]-2-methoxy-phenyl] ester Formula: C16H16FN3O4S2 MolecularWeight: 397.444343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)NC2=CC=C(C=C2)F)OS(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)NC2=CC=C(C=C2)F)OS(=O)(=O)C

InChI

InChI=1S/C16H16FN3O4S2/c1-23-15-9-11(3-8-14(15)24-26(2,21)22)10-18-20-16(25)19-13-6-4-12(17)5-7-13/h3-10H,1-2H3,(H2,19,20,25)/b18-10+