6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carbonitrile

Systemtic Name: 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carbonitrile Openeye Name: 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]pyridine-3-carbonitrile CAS Name: 6-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-3-pyridinecarbonitrile IUPAC Name: 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carbonitrile Traditional Name: 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]nicotinonitrile Formula: C19H16N2S MolecularWeight: 304.40874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C#N)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C#CC3=NC=C(C=C3)C#N)C

InChI

InChI=1S/C19H16N2S/c1-19(2)9-10-22-18-8-5-14(11-17(18)19)3-6-16-7-4-15(12-20)13-21-16/h4-5,7-8,11,13H,9-10H2,1-2H3