N-(4-methylsulfanylphenyl)-2,2-diphosphonato-ethanethioamide

Systemtic Name: N-(4-methylsulfanylphenyl)-2,2-diphosphonato-ethanethioamide Openeye Name: N-(4-methylsulfanylphenyl)-2,2-diphosphonato-thioacetamide CAS Name: N-[4-(methylthio)phenyl]-2,2-diphosphonatoethanethioamide IUPAC Name: N-(4-methylsulfanylphenyl)-2,2-diphosphonatoethanethioamide Traditional Name: N-[4-(methylthio)phenyl]-2,2-diphosphonato-thioacetamide Formula: C9H9NO6P2S2-4 MolecularWeight: 353.248382

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=S)C(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=S)C(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C9H13NO6P2S2/c1-20-7-4-2-6(3-5-7)10-8(19)9(17(11,12)13)18(14,15)16/h2-5,9H,1H3,(H,10,19)(H2,11,12,13)(H2,14,15,16)/p-4