2-(1,4,4-trimethyl-3H-isothiochromen-1-yl)ethanenitrile

Systemtic Name: 2-(1,4,4-trimethyl-3H-isothiochromen-1-yl)ethanenitrile Openeye Name: 2-(1,4,4-trimethylisothiochroman-1-yl)acetonitrile CAS Name: 2-(1,4,4-trimethyl-3H-2-benzothiopyran-1-yl)acetonitrile IUPAC Name: 2-(1,4,4-trimethyl-3H-isothiochromen-1-yl)acetonitrile Traditional Name: 2-(1,4,4-trimethylisothiochroman-1-yl)acetonitrile Formula: C14H17NS MolecularWeight: 231.35648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NS/c1-13(2)10-16-14(3,8-9-15)12-7-5-4-6-11(12)13/h4-7H,8,10H2,1-3H3