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

Systemtic Name: 3-bromanyl-N-[2-(2,4-dimethylphenyl)-5-oxidanylidene-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide Openeye Name: 3-bromo-N-[2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide CAS Name: 3-bromo-N-[2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide IUPAC Name: 3-bromo-N-[2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide Traditional Name: 3-bromo-N-[2-(2,4-dimethylphenyl)-5-keto-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O2S/c1-12-6-7-18(13(2)8-12)24-19(16-10-27(26)11-17(16)23-24)22-20(25)14-4-3-5-15(21)9-14/h3-9H,10-11H2,1-2H3,(H,22,25)