6-azanylidene-5-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-4-methylsulfanyl-pyran-3-carbonitrile

Systemtic Name: 6-azanylidene-5-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-4-methylsulfanyl-pyran-3-carbonitrile Openeye Name: 5-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-6-imino-4-methylsulfanyl-pyran-3-carbonitrile CAS Name: 5-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-6-imino-4-(methylthio)-3-pyrancarbonitrile IUPAC Name: 5-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-6-imino-4-methylsulfanylpyran-3-carbonitrile Traditional Name: 5-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-6-imino-4-(methylthio)pyran-3-carbonitrile Formula: C21H18FN2O3PS MolecularWeight: 428.416384

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=CC=C1)C2=C(C(=C(OC2=N)C3=CC=C(C=C3)F)C#N)SC

Isomeric SMILES

CCOP(=O)(C1=CC=CC=C1)C2=C(C(=C(OC2=N)C3=CC=C(C=C3)F)C#N)SC

InChI

InChI=1S/C21H18FN2O3PS/c1-3-26-28(25,16-7-5-4-6-8-16)19-20(29-2)17(13-23)18(27-21(19)24)14-9-11-15(22)12-10-14/h4-12,24H,3H2,1-2H3