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

Systemtic Name: 2-methylsulfanylethyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)phenyl]sulfanylethanoate Openeye Name: 2-methylsulfanylethyl 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 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl 2-[2-chloro-5-(diazinane-1-carbonylsulfanylamino)phenyl]sulfanylacetate Traditional Name: 2-[[2-chloro-5-[(hexahydropyridazine-1-carbonylthio)amino]phenyl]thio]acetic acid 2-(methylthio)ethyl ester Formula: C16H22ClN3O3S3 MolecularWeight: 436.01218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O3S3/c1-24-9-8-23-15(21)11-25-14-10-12(4-5-13(14)17)19-26-16(22)20-7-3-2-6-18-20/h4-5,10,18-19H,2-3,6-9,11H2,1H3