2-(4-isothiocyanatophenyl)-5-pent-4-enyl-1,3-dioxane

Systemtic Name: 2-(4-isothiocyanatophenyl)-5-pent-4-enyl-1,3-dioxane Openeye Name: 2-(4-isothiocyanatophenyl)-5-pent-4-enyl-1,3-dioxane CAS Name: 2-(4-isothiocyanatophenyl)-5-pent-4-enyl-1,3-dioxane IUPAC Name: 2-(4-isothiocyanatophenyl)-5-pent-4-enyl-1,3-dioxane Traditional Name: 2-(4-isothiocyanatophenyl)-5-pent-4-enyl-1,3-dioxane Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC1COC(OC1)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

C=CCCCC1COC(OC1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C16H19NO2S/c1-2-3-4-5-13-10-18-16(19-11-13)14-6-8-15(9-7-14)17-12-20/h2,6-9,13,16H,1,3-5,10-11H2