2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4-phenylazanyl-pyridine-3-carbonitrile

Systemtic Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4-phenylazanyl-pyridine-3-carbonitrile Openeye Name: 4-anilino-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyridine-3-carbonitrile CAS Name: 4-anilino-2-[(3-methyl-5-nitro-4-imidazolyl)thio]-3-pyridinecarbonitrile IUPAC Name: 4-anilino-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 4-anilino-2-[(3-methyl-5-nitro-imidazol-4-yl)thio]nicotinonitrile Formula: C16H12N6O2S MolecularWeight: 352.37048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC=CC(=C2C#N)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC=CC(=C2C#N)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O2S/c1-21-10-19-14(22(23)24)16(21)25-15-12(9-17)13(7-8-18-15)20-11-5-3-2-4-6-11/h2-8,10H,1H3,(H,18,20)