[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3-bromobenzoate Traditional Name: 3-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(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)C=NNC(=S)N

Isomeric SMILES

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

InChI

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