[2-(2-phenylsulfanylethanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid

Systemtic Name: [2-(2-phenylsulfanylethanoylamino)-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid Openeye Name: [2-[(2-phenylsulfanylacetyl)amino]-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid CAS Name: [2-[[1-oxo-2-(phenylthio)ethyl]amino]-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid IUPAC Name: [2-[(2-phenylsulfanylacetyl)amino]-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid Traditional Name: [2-[[2-(phenylthio)acetyl]amino]-3-(1,2,4-triazol-1-yl)propyl]phosphonic acid Formula: C13H17N4O4PS MolecularWeight: 356.337241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NC(CN2C=NC=N2)CP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NC(CN2C=NC=N2)CP(=O)(O)O

InChI

InChI=1S/C13H17N4O4PS/c18-13(8-23-12-4-2-1-3-5-12)16-11(7-22(19,20)21)6-17-10-14-9-15-17/h1-5,9-11H,6-8H2,(H,16,18)(H2,19,20,21)