cyclopentyl 2-[2-bromanyl-5-(4,5-dihydro-3H-pyridazin-2-ylcarbothioylamino)-4-fluoranyl-phenyl]sulfanylethanoate

Systemtic Name: cyclopentyl 2-[2-bromanyl-5-(4,5-dihydro-3H-pyridazin-2-ylcarbothioylamino)-4-fluoranyl-phenyl]sulfanylethanoate Openeye Name: cyclopentyl 2-[2-bromo-5-(4,5-dihydro-3H-pyridazine-2-carbothioylamino)-4-fluoro-phenyl]sulfanylacetate CAS Name: 2-[[2-bromo-5-[[4,5-dihydro-3H-pyridazin-2-yl(sulfanylidene)methyl]amino]-4-fluorophenyl]thio]acetic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-[2-bromo-5-(4,5-dihydro-3H-pyridazine-2-carbothioylamino)-4-fluorophenyl]sulfanylacetate Traditional Name: 2-[[2-bromo-5-(4,5-dihydro-3H-pyridazine-2-carbothioylamino)-4-fluoro-phenyl]thio]acetic acid cyclopentyl ester Formula: C18H21BrFN3O2S2 MolecularWeight: 474.410643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)CSC2=C(C=C(C(=C2)NC(=S)N3CCCC=N3)F)Br

Isomeric SMILES

C1CCC(C1)OC(=O)CSC2=C(C=C(C(=C2)NC(=S)N3CCCC=N3)F)Br

InChI

InChI=1S/C18H21BrFN3O2S2/c19-13-9-14(20)15(22-18(26)23-8-4-3-7-21-23)10-16(13)27-11-17(24)25-12-5-1-2-6-12/h7,9-10,12H,1-6,8,11H2,(H,22,26)