2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(phenylcarbamoyl)ethanamide

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]acetamide IUPAC Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-N-(phenylcarbamoyl)acetamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)NC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)NC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N6O2S/c1-12-10-13(2)24(23-12)15-8-9-17(22-21-15)27-11-16(25)20-18(26)19-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,19,20,25,26)