[2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [2-[(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-[(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] ester Formula: C21H14BrN3O2S MolecularWeight: 452.32376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC2=NC3=CC=CC=C3S2)OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C(C(=C1)C=NNC2=NC3=CC=CC=C3S2)OC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H14BrN3O2S/c22-16-8-5-7-14(12-16)20(26)27-18-10-3-1-6-15(18)13-23-25-21-24-17-9-2-4-11-19(17)28-21/h1-13H,(H,24,25)