ethyl 4-[2-[6-[(2-fluorophenyl)carbonylamino]pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[6-[(2-fluorophenyl)carbonylamino]pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[6-[[(2-fluorophenyl)-oxomethyl]amino]-3-pyridazinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[6-[(2-fluorobenzoyl)amino]pyridazin-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H22FN5O4S MolecularWeight: 447.483183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C20H22FN5O4S/c1-2-30-20(29)26-11-9-25(10-12-26)18(27)13-31-17-8-7-16(23-24-17)22-19(28)14-5-3-4-6-15(14)21/h3-8H,2,9-13H2,1H3,(H,22,23,28)