[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C15H12BrN3O2S MolecularWeight: 378.24368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=S)N)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H12BrN3O2S/c16-12-5-3-11(4-6-12)14(20)21-13-7-1-10(2-8-13)9-18-19-15(17)22/h1-9H,(H3,17,19,22)/b18-9+