6-azanylidene-5-diethoxyphosphoryl-2-(4-fluorophenyl)-4-methylsulfanyl-pyran-3-carbonitrile

Systemtic Name: 6-azanylidene-5-diethoxyphosphoryl-2-(4-fluorophenyl)-4-methylsulfanyl-pyran-3-carbonitrile Openeye Name: 5-diethoxyphosphoryl-2-(4-fluorophenyl)-6-imino-4-methylsulfanyl-pyran-3-carbonitrile CAS Name: 5-diethoxyphosphoryl-2-(4-fluorophenyl)-6-imino-4-(methylthio)-3-pyrancarbonitrile IUPAC Name: 5-diethoxyphosphoryl-2-(4-fluorophenyl)-6-imino-4-methylsulfanylpyran-3-carbonitrile Traditional Name: 5-diethoxyphosphoryl-2-(4-fluorophenyl)-6-imino-4-(methylthio)pyran-3-carbonitrile Formula: C17H18FN2O4PS MolecularWeight: 396.372984

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C(=C(OC1=N)C2=CC=C(C=C2)F)C#N)SC)OCC

Isomeric SMILES

CCOP(=O)(C1=C(C(=C(OC1=N)C2=CC=C(C=C2)F)C#N)SC)OCC

InChI

InChI=1S/C17H18FN2O4PS/c1-4-22-25(21,23-5-2)15-16(26-3)13(10-19)14(24-17(15)20)11-6-8-12(18)9-7-11/h6-9,20H,4-5H2,1-3H3