6-diethoxyphosphoryl-6-phenyl-3H-1,3,4-thiadiazin-3-ium-2-imine

Systemtic Name: 6-diethoxyphosphoryl-6-phenyl-3H-1,3,4-thiadiazin-3-ium-2-imine Openeye Name: 6-diethoxyphosphoryl-6-phenyl-3H-1,3,4-thiadiazin-3-ium-2-imine CAS Name: 6-diethoxyphosphoryl-6-phenyl-3H-1,3,4-thiadiazin-3-ium-2-imine IUPAC Name: 6-diethoxyphosphoryl-6-phenyl-3H-1,3,4-thiadiazin-3-ium-2-imine Traditional Name: (6-diethoxyphosphoryl-6-phenyl-3H-1,3,4-thiadiazin-3-ium-2-ylidene)amine Formula: C13H19N3O3PS+ MolecularWeight: 328.347021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1(C=N[NH2+]C(=N)S1)C2=CC=CC=C2)OCC

Isomeric SMILES

CCOP(=O)(C1(C=N[NH2+]C(=N)S1)C2=CC=CC=C2)OCC

InChI

InChI=1S/C13H18N3O3PS/c1-3-18-20(17,19-4-2)13(10-15-16-12(14)21-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3,(H2,14,16)/p+1