4,6-dimethyl-5-nitro-2-phenylsulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-5-nitro-2-phenylsulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-5-nitro-2-phenylsulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-5-nitro-2-(phenylthio)-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-5-nitro-2-phenylsulfanylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-5-nitro-2-(phenylthio)nicotinonitrile Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1[N+](=O)[O-])C)SC2=CC=CC=C2)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1[N+](=O)[O-])C)SC2=CC=CC=C2)C#N

InChI

InChI=1S/C14H11N3O2S/c1-9-12(8-15)14(16-10(2)13(9)17(18)19)20-11-6-4-3-5-7-11/h3-7H,1-2H3