pentyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)-4-fluoranyl-phenyl]sulfanylethanoate

Systemtic Name: pentyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)-4-fluoranyl-phenyl]sulfanylethanoate Openeye Name: pentyl 2-[2-chloro-4-fluoro-5-(hexahydropyridazine-1-carbonylsulfanylamino)phenyl]sulfanylacetate CAS Name: 2-[[2-chloro-5-[[[1-diazinanyl(oxo)methyl]thio]amino]-4-fluorophenyl]thio]acetic acid pentyl ester IUPAC Name: pentyl 2-[2-chloro-5-(diazinane-1-carbonylsulfanylamino)-4-fluorophenyl]sulfanylacetate Traditional Name: 2-[[2-chloro-4-fluoro-5-[(hexahydropyridazine-1-carbonylthio)amino]phenyl]thio]acetic acid amyl ester Formula: C18H25ClFN3O3S2 MolecularWeight: 449.990803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CSC1=C(C=C(C(=C1)NSC(=O)N2CCCCN2)F)Cl

Isomeric SMILES

CCCCCOC(=O)CSC1=C(C=C(C(=C1)NSC(=O)N2CCCCN2)F)Cl

InChI

InChI=1S/C18H25ClFN3O3S2/c1-2-3-6-9-26-17(24)12-27-16-11-15(14(20)10-13(16)19)22-28-18(25)23-8-5-4-7-21-23/h10-11,21-22H,2-9,12H2,1H3