N-(1,3-benzothiazol-2-yl)-2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(4-iodo-3,5-dimethyl-1-pyrazolyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(4-iodo-3,5-dimethyl-pyrazol-1-yl)acetamide Formula: C14H13IN4OS MolecularWeight: 412.24869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=NC3=CC=CC=C3S2)C)I

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=NC3=CC=CC=C3S2)C)I

InChI

InChI=1S/C14H13IN4OS/c1-8-13(15)9(2)19(18-8)7-12(20)17-14-16-10-5-3-4-6-11(10)21-14/h3-6H,7H2,1-2H3,(H,16,17,20)