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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(4-iodo-3,5-dimethyl-1-pyrazolyl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(4-iodo-3,5-dimethylpyrazol-1-yl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butyramide Formula: C16H17IN4OS MolecularWeight: 440.30185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=NC3=CC=CC=C3S2)C)I

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=NC3=CC=CC=C3S2)C)I

InChI

InChI=1S/C16H17IN4OS/c1-10-15(17)11(2)21(20-10)9-5-8-14(22)19-16-18-12-6-3-4-7-13(12)23-16/h3-4,6-7H,5,8-9H2,1-2H3,(H,18,19,22)