(2-azanyl-7-ethyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-7-ethyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-7-ethyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-7-ethyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-7-ethyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-7-ethyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C11H12N3O4PS2 MolecularWeight: 345.334441

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)SC#N

Isomeric SMILES

CCC1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)SC#N

InChI

InChI=1S/C11H12N3O4PS2/c1-2-6-8(20-4-12)3-7(18-5-19(15,16)17)9-10(6)21-11(13)14-9/h3H,2,5H2,1H3,(H2,13,14)(H2,15,16,17)