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

Systemtic Name: prop-2-ynyl 2-[2-chloranyl-5-(1,2-diazinan-1-ylcarbonylsulfanylamino)phenyl]sulfanylethanoate Openeye Name: prop-2-ynyl 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 prop-2-ynyl ester IUPAC Name: prop-2-ynyl 2-[2-chloro-5-(diazinane-1-carbonylsulfanylamino)phenyl]sulfanylacetate Traditional Name: 2-[[2-chloro-5-[(hexahydropyridazine-1-carbonylthio)amino]phenyl]thio]acetic acid propargyl ester Formula: C16H18ClN3O3S2 MolecularWeight: 399.91542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O3S2/c1-2-9-23-15(21)11-24-14-10-12(5-6-13(14)17)19-25-16(22)20-8-4-3-7-18-20/h1,5-6,10,18-19H,3-4,7-9,11H2