1,4,4-trimethyl-3H-isothiochromene-1-carbonitrile

Systemtic Name: 1,4,4-trimethyl-3H-isothiochromene-1-carbonitrile Openeye Name: 1,4,4-trimethylisothiochromane-1-carbonitrile CAS Name: 1,4,4-trimethyl-3H-2-benzothiopyran-1-carbonitrile IUPAC Name: 1,4,4-trimethyl-3H-isothiochromene-1-carbonitrile Traditional Name: 1,4,4-trimethylisothiochroman-1-carbonitrile Formula: C13H15NS MolecularWeight: 217.3299

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NS/c1-12(2)9-15-13(3,8-14)11-7-5-4-6-10(11)12/h4-7H,9H2,1-3H3