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

Systemtic Name: [4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[(E)-(phenylcarbamothioylhydrazono)methyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[(E)-(phenylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C21H16BrN3O2S MolecularWeight: 454.33964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H16BrN3O2S/c22-19-9-5-4-8-18(19)20(26)27-17-12-10-15(11-13-17)14-23-25-21(28)24-16-6-2-1-3-7-16/h1-14H,(H2,24,25,28)/b23-14+