6-cyclopropyl-4-(4-methoxyphenyl)-2-methylsulfanyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-cyclopropyl-4-(4-methoxyphenyl)-2-methylsulfanyl-pyridin-1-ium-3-carbonitrile Openeye Name: 6-cyclopropyl-4-(4-methoxyphenyl)-2-methylsulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 6-cyclopropyl-4-(4-methoxyphenyl)-2-(methylthio)-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-cyclopropyl-4-(4-methoxyphenyl)-2-methylsulfanylpyridin-1-ium-3-carbonitrile Traditional Name: 6-cyclopropyl-4-(4-methoxyphenyl)-2-(methylthio)pyridin-1-ium-3-carbonitrile Formula: C17H17N2OS+ MolecularWeight: 297.39468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SC)C3CC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SC)C3CC3

InChI

InChI=1S/C17H16N2OS/c1-20-13-7-5-11(6-8-13)14-9-16(12-3-4-12)19-17(21-2)15(14)10-18/h5-9,12H,3-4H2,1-2H3/p+1