N-[2-(2,3-dimethylphenyl)-5-oxidanylidene-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodanyl-benzamide

Systemtic Name: N-[2-(2,3-dimethylphenyl)-5-oxidanylidene-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodanyl-benzamide Openeye Name: N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodo-benzamide CAS Name: N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodobenzamide IUPAC Name: N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodobenzamide Traditional Name: N-[2-(2,3-dimethylphenyl)-5-keto-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodo-benzamide Formula: C20H18IN3O2S MolecularWeight: 491.34529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC=CC=C4I)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC=CC=C4I)C

InChI

InChI=1S/C20H18IN3O2S/c1-12-6-5-9-18(13(12)2)24-19(15-10-27(26)11-17(15)23-24)22-20(25)14-7-3-4-8-16(14)21/h3-9H,10-11H2,1-2H3,(H,22,25)