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

Systemtic Name: N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodanyl-benzamide Openeye Name: N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodo-benzamide CAS Name: N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodobenzamide IUPAC Name: N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodobenzamide Traditional Name: N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodo-benzamide Formula: C20H18IN3OS MolecularWeight: 475.34589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=CC=C4I)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C3CSCC3=N2)NC(=O)C4=CC=CC=C4I)C

InChI

InChI=1S/C20H18IN3OS/c1-12-7-13(2)9-14(8-12)24-19(16-10-26-11-18(16)23-24)22-20(25)15-5-3-4-6-17(15)21/h3-9H,10-11H2,1-2H3,(H,22,25)