4,4-dimethyl-1,3-dihydroisothiochromene-1-carbonitrile

Systemtic Name: 4,4-dimethyl-1,3-dihydroisothiochromene-1-carbonitrile Openeye Name: 4,4-dimethylisothiochromane-1-carbonitrile CAS Name: 4,4-dimethyl-1,3-dihydro-2-benzothiopyran-1-carbonitrile IUPAC Name: 4,4-dimethyl-1,3-dihydroisothiochromene-1-carbonitrile Traditional Name: 4,4-dimethylisothiochroman-1-carbonitrile Formula: C12H13NS MolecularWeight: 203.30332

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC(C2=CC=CC=C21)C#N)C

Isomeric SMILES

CC1(CSC(C2=CC=CC=C21)C#N)C

InChI

InChI=1S/C12H13NS/c1-12(2)8-14-11(7-13)9-5-3-4-6-10(9)12/h3-6,11H,8H2,1-2H3