2-(3-phenylprop-2-enylsulfanyl)-6-pyridin-1-ium-2-yl-pyridine-3-carbonitrile

Systemtic Name: 2-(3-phenylprop-2-enylsulfanyl)-6-pyridin-1-ium-2-yl-pyridine-3-carbonitrile Openeye Name: 2-cinnamylsulfanyl-6-pyridin-1-ium-2-yl-pyridine-3-carbonitrile CAS Name: 2-(3-phenylprop-2-enylthio)-6-(2-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 2-(3-phenylprop-2-enylsulfanyl)-6-pyridin-1-ium-2-ylpyridine-3-carbonitrile Traditional Name: 2-(cinnamylthio)-6-pyridin-1-ium-2-yl-nicotinonitrile Formula: C20H16N3S+ MolecularWeight: 330.42614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=C(C=CC(=N2)C3=CC=CC=[NH+]3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C=CCSC2=C(C=CC(=N2)C3=CC=CC=[NH+]3)C#N

InChI

InChI=1S/C20H15N3S/c21-15-17-11-12-19(18-10-4-5-13-22-18)23-20(17)24-14-6-9-16-7-2-1-3-8-16/h1-13H,14H2/p+1