4,6-dimethyl-2-[(2S)-2-(3-nitrophenyl)-2-oxidanyl-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[(2S)-2-(3-nitrophenyl)-2-oxidanyl-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 2-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(C2=CC(=CC=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC[C@H](C2=CC(=CC=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C16H15N3O3S/c1-10-6-11(2)18-16(14(10)8-17)23-9-15(20)12-4-3-5-13(7-12)19(21)22/h3-7,15,20H,9H2,1-2H3/t15-/m1/s1