6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-1-oxidanidyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-1-oxidanidyl-pyridin-1-ium-3-carbonitrile Openeye Name: 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]-1-oxido-pyridin-1-ium-3-carbonitrile CAS Name: 6-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]-1-oxido-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]-1-oxidopyridin-1-ium-3-carbonitrile Traditional Name: 6-[2-(4,4-dimethylthiochroman-6-yl)ethynyl]-1-oxido-pyridin-1-ium-3-carbonitrile Formula: C19H16N2OS MolecularWeight: 320.40814

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C#CC3=[N+](C=C(C=C3)C#N)[O-])C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C#CC3=[N+](C=C(C=C3)C#N)[O-])C

InChI

InChI=1S/C19H16N2OS/c1-19(2)9-10-23-18-8-5-14(11-17(18)19)3-6-16-7-4-15(12-20)13-21(16)22/h4-5,7-8,11,13H,9-10H2,1-2H3