ethyl 4-[2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(2,4-dimethylphenyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(2,4-dimethylphenyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C23H23N3O3S/c1-4-29-23(28)17-6-8-18(9-7-17)24-21(27)14-30-22-12-11-20(25-26-22)19-10-5-15(2)13-16(19)3/h5-13H,4,14H2,1-3H3,(H,24,27)