[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-iodanyl-6-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-iodanyl-6-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]-2-iodo-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-iodo-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-iodo-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-iodo-6-methoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H16IN3O4S2 MolecularWeight: 505.35041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)C=NNC(=S)N)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)/C=N/NC(=S)N)OC

InChI

InChI=1S/C16H16IN3O4S2/c1-10-3-5-12(6-4-10)26(21,22)24-15-13(17)7-11(8-14(15)23-2)9-19-20-16(18)25/h3-9H,1-2H3,(H3,18,20,25)/b19-9+