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

Systemtic Name: [4-bromanyl-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-bromo-2-[(E)-(carbamothioylhydrazono)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-bromo-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-bromo-2-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C15H14BrN3O3S2 MolecularWeight: 428.32396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN3O3S2/c1-10-2-5-13(6-3-10)24(20,21)22-14-7-4-12(16)8-11(14)9-18-19-15(17)23/h2-9H,1H3,(H3,17,19,23)/b18-9+