3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]phosphonic acid CAS Name: 3-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]pentan-3-ylphosphonic acid IUPAC Name: 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]propyl]phosphonic acid Formula: C8H15N2O3PS3 MolecularWeight: 314.385061

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(P(=O)(O)O)SC1=NN=C(S1)SC

Isomeric SMILES

CCC(CC)(P(=O)(O)O)SC1=NN=C(S1)SC

InChI

InChI=1S/C8H15N2O3PS3/c1-4-8(5-2,14(11,12)13)17-7-10-9-6(15-3)16-7/h4-5H2,1-3H3,(H2,11,12,13)