[5-[2-(cyanomethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid

Systemtic Name: [5-[2-(cyanomethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Openeye Name: [5-[2-(cyanomethyl)thiazol-4-yl]-3-furyl]phosphonic acid CAS Name: [5-[2-(cyanomethyl)-4-thiazolyl]-3-furanyl]phosphonic acid IUPAC Name: [5-[2-(cyanomethyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Traditional Name: [5-[2-(cyanomethyl)thiazol-4-yl]-3-furyl]phosphonic acid Formula: C9H7N2O4PS MolecularWeight: 270.201641

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC=C1P(=O)(O)O)C2=CSC(=N2)CC#N

Isomeric SMILES

C1=C(OC=C1P(=O)(O)O)C2=CSC(=N2)CC#N

InChI

InChI=1S/C9H7N2O4PS/c10-2-1-9-11-7(5-17-9)8-3-6(4-15-8)16(12,13)14/h3-5H,1H2,(H2,12,13,14)