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

Systemtic Name: 6-azanylidene-5-diethoxyphosphoryl-2-(4-methylphenyl)-4-methylsulfanyl-pyran-3-carbonitrile Openeye Name: 5-diethoxyphosphoryl-6-imino-4-methylsulfanyl-2-(p-tolyl)pyran-3-carbonitrile CAS Name: 5-diethoxyphosphoryl-6-imino-2-(4-methylphenyl)-4-(methylthio)-3-pyrancarbonitrile IUPAC Name: 5-diethoxyphosphoryl-6-imino-2-(4-methylphenyl)-4-methylsulfanylpyran-3-carbonitrile Traditional Name: 5-diethoxyphosphoryl-6-imino-4-(methylthio)-2-(p-tolyl)pyran-3-carbonitrile Formula: C18H21N2O4PS MolecularWeight: 392.409101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N2O4PS/c1-5-22-25(21,23-6-2)16-17(26-4)14(11-19)15(24-18(16)20)13-9-7-12(3)8-10-13/h7-10,20H,5-6H2,1-4H3