[2-[(E)-(aminocarbonylhydrazinylidene)methyl]-4-bromanyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-(aminocarbonylhydrazinylidene)methyl]-4-bromanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-bromo-2-[(E)-(carbamoylhydrazono)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-bromo-2-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-bromo-2-[(E)-semicarbazonomethyl]phenyl] ester Formula: C15H14BrN3O4S MolecularWeight: 412.25836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)N

InChI

InChI=1S/C15H14BrN3O4S/c1-10-2-5-13(6-3-10)24(21,22)23-14-7-4-12(16)8-11(14)9-18-19-15(17)20/h2-9H,1H3,(H3,17,19,20)/b18-9+