(2-azanyl-5,7-dimethyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-5,7-dimethyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-5,7-dimethyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-5,7-dimethyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-5,7-dimethyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-5,7-dimethyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C11H12N3O4PS2 MolecularWeight: 345.334441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1SC#N)C)SC(=N2)N)OCP(=O)(O)O

Isomeric SMILES

CC1=C(C2=C(C(=C1SC#N)C)SC(=N2)N)OCP(=O)(O)O

InChI

InChI=1S/C11H12N3O4PS2/c1-5-8(18-4-19(15,16)17)7-10(21-11(13)14-7)6(2)9(5)20-3-12/h4H2,1-2H3,(H2,13,14)(H2,15,16,17)