[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C15H12BrN3O2S MolecularWeight: 378.24368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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