3-[2-(3-iodanylprop-2-ynoxy)propan-2-yloxy]-5-methylsulfanyl-1,2-thiazole-4-carbonitrile

Systemtic Name: 3-[2-(3-iodanylprop-2-ynoxy)propan-2-yloxy]-5-methylsulfanyl-1,2-thiazole-4-carbonitrile Openeye Name: 3-[1-(3-iodoprop-2-ynoxy)-1-methyl-ethoxy]-5-methylsulfanyl-isothiazole-4-carbonitrile CAS Name: 3-[2-(3-iodoprop-2-ynoxy)propan-2-yloxy]-5-(methylthio)-4-isothiazolecarbonitrile IUPAC Name: 3-[2-(3-iodoprop-2-ynoxy)propan-2-yloxy]-5-methylsulfanyl-1,2-thiazole-4-carbonitrile Traditional Name: 3-[1-(3-iodoprop-2-ynoxy)-1-methyl-ethoxy]-5-(methylthio)isothiazole-4-carbonitrile Formula: C11H11IN2O2S2 MolecularWeight: 394.25171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(OCC#CI)OC1=NSC(=C1C#N)SC

Isomeric SMILES

CC(C)(OCC#CI)OC1=NSC(=C1C#N)SC

InChI

InChI=1S/C11H11IN2O2S2/c1-11(2,15-6-4-5-12)16-9-8(7-13)10(17-3)18-14-9/h6H2,1-3H3