4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C)C

InChI

InChI=1S/C21H22N6O2S/c1-13-11-14(2)27(25-13)17-9-10-18(24-23-17)30-12-19(28)26-16-8-6-5-7-15(16)22-20(29)21(26,3)4/h5-11H,12H2,1-4H3,(H,22,29)