(2R)-3-(4-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanenitrile

Systemtic Name: (2R)-3-(4-methylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanenitrile Openeye Name: (2R)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanenitrile Traditional Name: (2R)-2-[(1-oxidopyridin-1-ium-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C15H14N2OS MolecularWeight: 270.34946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H14N2OS/c1-12-5-7-13(8-6-12)10-14(11-16)19-15-4-2-3-9-17(15)18/h2-9,14H,10H2,1H3/t14-/m1/s1