methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-3-keto-butyric acid methyl ester Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC)C

InChI

InChI=1S/C21H20N6O3S/c1-12-10-13(2)27(26-12)17-8-9-18(25-24-17)31-11-16(28)19(21(29)30-3)20-22-14-6-4-5-7-15(14)23-20/h4-10,22-23H,11H2,1-3H3