[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-chloranyl-6-methoxy-phenyl] benzenesulfonate

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-chloranyl-6-methoxy-phenyl] benzenesulfonate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]-2-chloro-6-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-chloro-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-chloro-6-methoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-chloro-6-methoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C15H14ClN3O4S2 MolecularWeight: 399.87236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=S)N)Cl)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN3O4S2/c1-22-13-8-10(9-18-19-15(17)24)7-12(16)14(13)23-25(20,21)11-5-3-2-4-6-11/h2-9H,1H3,(H3,17,19,24)/b18-9+