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

Systemtic Name: (2-azanyl-7-phenyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-7-phenyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-7-phenyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-7-phenyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-7-phenyl-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C15H12N3O4PS2 MolecularWeight: 393.377241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C3=C2SC(=N3)N)OCP(=O)(O)O)SC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C3=C2SC(=N3)N)OCP(=O)(O)O)SC#N

InChI

InChI=1S/C15H12N3O4PS2/c16-7-24-11-6-10(22-8-23(19,20)21)13-14(25-15(17)18-13)12(11)9-4-2-1-3-5-9/h1-6H,8H2,(H2,17,18)(H2,19,20,21)