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

Systemtic Name: methyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)phenyl]sulfanylethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-[2-chloro-5-(diazinane-1-carbonylsulfanylamino)phenyl]sulfanylacetate Traditional Name: 2-[[2-chloro-5-[(hexahydropyridazine-1-carbonylthio)amino]phenyl]thio]acetic acid methyl ester Formula: C14H18ClN3O3S2 MolecularWeight: 375.89402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O3S2/c1-21-13(19)9-22-12-8-10(4-5-11(12)15)17-23-14(20)18-7-3-2-6-16-18/h4-5,8,16-17H,2-3,6-7,9H2,1H3