5-methylsulfanyl-3-octoxy-1,2-thiazole-4-carbonitrile

Systemtic Name: 5-methylsulfanyl-3-octoxy-1,2-thiazole-4-carbonitrile Openeye Name: 5-methylsulfanyl-3-octoxy-isothiazole-4-carbonitrile CAS Name: 5-(methylthio)-3-octoxy-4-isothiazolecarbonitrile IUPAC Name: 5-methylsulfanyl-3-octoxy-1,2-thiazole-4-carbonitrile Traditional Name: 5-(methylthio)-3-octoxy-isothiazole-4-carbonitrile Formula: C13H20N2OS2 MolecularWeight: 284.4407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NSC(=C1C#N)SC

Isomeric SMILES

CCCCCCCCOC1=NSC(=C1C#N)SC

InChI

InChI=1S/C13H20N2OS2/c1-3-4-5-6-7-8-9-16-12-11(10-14)13(17-2)18-15-12/h3-9H2,1-2H3