cyclopentyl 2-chloranyl-5-(4,5-dihydro-3H-pyridazin-2-ylcarbothioylamino)-4-fluoranyl-benzoate

Systemtic Name: cyclopentyl 2-chloranyl-5-(4,5-dihydro-3H-pyridazin-2-ylcarbothioylamino)-4-fluoranyl-benzoate Openeye Name: cyclopentyl 2-chloro-5-(4,5-dihydro-3H-pyridazine-2-carbothioylamino)-4-fluoro-benzoate CAS Name: 2-chloro-5-[[4,5-dihydro-3H-pyridazin-2-yl(sulfanylidene)methyl]amino]-4-fluorobenzoic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-chloro-5-(4,5-dihydro-3H-pyridazine-2-carbothioylamino)-4-fluorobenzoate Traditional Name: 2-chloro-5-(4,5-dihydro-3H-pyridazine-2-carbothioylamino)-4-fluoro-benzoic acid cyclopentyl ester Formula: C17H19ClFN3O2S MolecularWeight: 383.868063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)C2=CC(=C(C=C2Cl)F)NC(=S)N3CCCC=N3

Isomeric SMILES

C1CCC(C1)OC(=O)C2=CC(=C(C=C2Cl)F)NC(=S)N3CCCC=N3

InChI

InChI=1S/C17H19ClFN3O2S/c18-13-10-14(19)15(21-17(25)22-8-4-3-7-20-22)9-12(13)16(23)24-11-5-1-2-6-11/h7,9-11H,1-6,8H2,(H,21,25)