4-(dimethylamino)-2-phenylsulfanyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-(dimethylamino)-2-phenylsulfanyl-pyridin-1-ium-3-carbonitrile Openeye Name: 4-(dimethylamino)-2-phenylsulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 4-(dimethylamino)-2-(phenylthio)-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(dimethylamino)-2-phenylsulfanylpyridin-1-ium-3-carbonitrile Traditional Name: 4-(dimethylamino)-2-(phenylthio)pyridin-1-ium-3-carbonitrile Formula: C14H14N3S+ MolecularWeight: 256.34606

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=[NH+]C=C1)SC2=CC=CC=C2)C#N

Isomeric SMILES

CN(C)C1=C(C(=[NH+]C=C1)SC2=CC=CC=C2)C#N

InChI

InChI=1S/C14H13N3S/c1-17(2)13-8-9-16-14(12(13)10-15)18-11-6-4-3-5-7-11/h3-9H,1-2H3/p+1