[2-azanyl-2-[[1-(4-methylsulfanylphenyl)-2-adamantyl]methylimino]ethyl]sulfanylphosphonic acid

Systemtic Name: [2-azanyl-2-[[1-(4-methylsulfanylphenyl)-2-adamantyl]methylimino]ethyl]sulfanylphosphonic acid Openeye Name: [2-amino-2-[[1-(4-methylsulfanylphenyl)-2-adamantyl]methylimino]ethyl]sulfanylphosphonic acid CAS Name: [[2-amino-2-[[1-[4-(methylthio)phenyl]-2-adamantyl]methylimino]ethyl]thio]phosphonic acid IUPAC Name: [2-amino-2-[[1-(4-methylsulfanylphenyl)-2-adamantyl]methylimino]ethyl]sulfanylphosphonic acid Traditional Name: [[2-amino-2-[[1-[4-(methylthio)phenyl]-2-adamantyl]methylimino]ethyl]thio]phosphonic acid Formula: C20H29N2O3PS2 MolecularWeight: 440.559621

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3CN=C(CSP(=O)(O)O)N

Isomeric SMILES

CSC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3CN=C(CSP(=O)(O)O)N

InChI

InChI=1S/C20H29N2O3PS2/c1-27-17-4-2-16(3-5-17)20-9-13-6-14(10-20)8-15(7-13)18(20)11-22-19(21)12-28-26(23,24)25/h2-5,13-15,18H,6-12H2,1H3,(H2,21,22)(H2,23,24,25)