3-[5-(2-cyanoethyl)-5-methyl-4-oxidanylidene-thian-3-yl]propanenitrile

Systemtic Name: 3-[5-(2-cyanoethyl)-5-methyl-4-oxidanylidene-thian-3-yl]propanenitrile Openeye Name: 3-[5-(2-cyanoethyl)-5-methyl-4-oxo-tetrahydrothiopyran-3-yl]propanenitrile CAS Name: 3-[5-(2-cyanoethyl)-5-methyl-4-oxo-3-thianyl]propanenitrile IUPAC Name: 3-[5-(2-cyanoethyl)-5-methyl-4-oxothian-3-yl]propanenitrile Traditional Name: 3-[5-(2-cyanoethyl)-4-keto-5-methyl-tetrahydrothiopyran-3-yl]propionitrile Formula: C12H16N2OS MolecularWeight: 236.33324

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSCC(C1=O)CCC#N)CCC#N

Isomeric SMILES

CC1(CSCC(C1=O)CCC#N)CCC#N

InChI

InChI=1S/C12H16N2OS/c1-12(5-3-7-14)9-16-8-10(11(12)15)4-2-6-13/h10H,2-5,8-9H2,1H3