4,6-dimethyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(3-methyl-5-nitro-4-imidazolyl)thio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-[(3-methyl-5-nitro-imidazol-4-yl)thio]nicotinonitrile Formula: C12H11N5O2S MolecularWeight: 289.31304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC2=C(N=CN2C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC2=C(N=CN2C)[N+](=O)[O-])C

InChI

InChI=1S/C12H11N5O2S/c1-7-4-8(2)15-11(9(7)5-13)20-12-10(17(18)19)14-6-16(12)3/h4,6H,1-3H3