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

Systemtic Name: 7-methoxy-1,4,4-trimethyl-3H-isothiochromene-1-carbonitrile Openeye Name: 7-methoxy-1,4,4-trimethyl-isothiochromane-1-carbonitrile CAS Name: 7-methoxy-1,4,4-trimethyl-3H-2-benzothiopyran-1-carbonitrile IUPAC Name: 7-methoxy-1,4,4-trimethyl-3H-isothiochromene-1-carbonitrile Traditional Name: 7-methoxy-1,4,4-trimethyl-isothiochroman-1-carbonitrile Formula: C14H17NOS MolecularWeight: 247.35588

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC(C2=C1C=CC(=C2)OC)(C)C#N)C

Isomeric SMILES

CC1(CSC(C2=C1C=CC(=C2)OC)(C)C#N)C

InChI

InChI=1S/C14H17NOS/c1-13(2)9-17-14(3,8-15)12-7-10(16-4)5-6-11(12)13/h5-7H,9H2,1-4H3