(5-cyano-3-diethoxyphosphoryl-4-methylsulfanyl-6-phenyl-pyran-2-ylidene)azanium

Systemtic Name: (5-cyano-3-diethoxyphosphoryl-4-methylsulfanyl-6-phenyl-pyran-2-ylidene)azanium Openeye Name: (5-cyano-3-diethoxyphosphoryl-4-methylsulfanyl-6-phenyl-pyran-2-ylidene)ammonium CAS Name: [5-cyano-3-diethoxyphosphoryl-4-(methylthio)-6-phenyl-2-pyranylidene]ammonium IUPAC Name: (5-cyano-3-diethoxyphosphoryl-4-methylsulfanyl-6-phenylpyran-2-ylidene)azanium Traditional Name: [5-cyano-3-diethoxyphosphoryl-4-(methylthio)-6-phenyl-pyran-2-ylidene]ammonium Formula: C17H20N2O4PS+ MolecularWeight: 379.390461

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C(=C(OC1=[NH2+])C2=CC=CC=C2)C#N)SC)OCC

Isomeric SMILES

CCOP(=O)(C1=C(C(=C(OC1=[NH2+])C2=CC=CC=C2)C#N)SC)OCC

InChI

InChI=1S/C17H19N2O4PS/c1-4-21-24(20,22-5-2)15-16(25-3)13(11-18)14(23-17(15)19)12-9-7-6-8-10-12/h6-10,19H,4-5H2,1-3H3/p+1