ethyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)phenyl]sulfanylethanoate Openeye Name: ethyl 2-[2-chloro-5-(hexahydropyridazine-1-carbonylsulfanylamino)phenyl]sulfanylacetate CAS Name: 2-[[2-chloro-5-[[[1-diazinanyl(oxo)methyl]thio]amino]phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-chloro-5-(diazinane-1-carbonylsulfanylamino)phenyl]sulfanylacetate Traditional Name: 2-[[2-chloro-5-[(hexahydropyridazine-1-carbonylthio)amino]phenyl]thio]acetic acid ethyl ester Formula: C15H20ClN3O3S2 MolecularWeight: 389.9206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=CC(=C1)NSC(=O)N2CCCCN2)Cl

Isomeric SMILES

CCOC(=O)CSC1=C(C=CC(=C1)NSC(=O)N2CCCCN2)Cl

InChI

InChI=1S/C15H20ClN3O3S2/c1-2-22-14(20)10-23-13-9-11(5-6-12(13)16)18-24-15(21)19-8-4-3-7-17-19/h5-6,9,17-18H,2-4,7-8,10H2,1H3