2-(6-methyl-4-oxidanylidene-2,3-dihydrothiochromen-3-yl)ethanenitrile

Systemtic Name: 2-(6-methyl-4-oxidanylidene-2,3-dihydrothiochromen-3-yl)ethanenitrile Openeye Name: 2-(6-methyl-4-oxo-thiochroman-3-yl)acetonitrile CAS Name: 2-(6-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-3-yl)acetonitrile IUPAC Name: 2-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)acetonitrile Traditional Name: 2-(4-keto-6-methyl-thiochroman-3-yl)acetonitrile Formula: C12H11NOS MolecularWeight: 217.28684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC(C2=O)CC#N

Isomeric SMILES

CC1=CC2=C(C=C1)SCC(C2=O)CC#N

InChI

InChI=1S/C12H11NOS/c1-8-2-3-11-10(6-8)12(14)9(4-5-13)7-15-11/h2-3,6,9H,4,7H2,1H3