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

Systemtic Name: (2-azanyl-7-propyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-7-propyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-7-propyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-7-propyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-7-propyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C12H14N3O4PS2 MolecularWeight: 359.361021

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)SC#N

Isomeric SMILES

CCCC1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)SC#N

InChI

InChI=1S/C12H14N3O4PS2/c1-2-3-7-9(21-5-13)4-8(19-6-20(16,17)18)10-11(7)22-12(14)15-10/h4H,2-3,6H2,1H3,(H2,14,15)(H2,16,17,18)