4-(dimethylamino)-2-[(3-methyl-5-nitro-1H-imidazol-3-ium-4-yl)sulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4-(dimethylamino)-2-[(3-methyl-5-nitro-1H-imidazol-3-ium-4-yl)sulfanyl]pyridine-3-carbonitrile Openeye Name: 4-(dimethylamino)-2-[(3-methyl-5-nitro-1H-imidazol-3-ium-4-yl)sulfanyl]pyridine-3-carbonitrile CAS Name: 4-(dimethylamino)-2-[(3-methyl-5-nitro-1H-imidazol-3-ium-4-yl)thio]-3-pyridinecarbonitrile IUPAC Name: 4-(dimethylamino)-2-[(3-methyl-5-nitro-1H-imidazol-3-ium-4-yl)sulfanyl]pyridine-3-carbonitrile Traditional Name: 4-(dimethylamino)-2-[(3-methyl-5-nitro-1H-imidazol-3-ium-4-yl)thio]nicotinonitrile Formula: C12H13N6O2S+ MolecularWeight: 305.33562

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CNC(=C1SC2=NC=CC(=C2C#N)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CNC(=C1SC2=NC=CC(=C2C#N)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O2S/c1-16(2)9-4-5-14-11(8(9)6-13)21-12-10(18(19)20)15-7-17(12)3/h4-5,7H,1-3H3/p+1