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

Systemtic Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 2-iodanylbenzoate Openeye Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-[(E)-(1,3-benzothiazol-2-ylhydrazono)methyl]phenyl] ester Formula: C21H14IN3O2S MolecularWeight: 499.32423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=NNC3=NC4=CC=CC=C4S3)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC3=NC4=CC=CC=C4S3)I

InChI

InChI=1S/C21H14IN3O2S/c22-17-6-2-1-5-16(17)20(26)27-15-11-9-14(10-12-15)13-23-25-21-24-18-7-3-4-8-19(18)28-21/h1-13H,(H,24,25)/b23-13+