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

Systemtic Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[(E)-(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=C2C(=C1)N=C(S2)NN=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H14BrN3O2S/c22-16-5-3-4-15(12-16)20(26)27-17-10-8-14(9-11-17)13-23-25-21-24-18-6-1-2-7-19(18)28-21/h1-13H,(H,24,25)/b23-13+