ethyl 2-[2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[[6-[4-(1-imidazolyl)phenyl]-3-pyridazinyl]thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H20N6O3S2 MolecularWeight: 480.5626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4)C

InChI

InChI=1S/C22H20N6O3S2/c1-3-31-21(30)20-14(2)24-22(33-20)25-18(29)12-32-19-9-8-17(26-27-19)15-4-6-16(7-5-15)28-11-10-23-13-28/h4-11,13H,3,12H2,1-2H3,(H,24,25,29)