1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 5-nitro-2-oxo-1-[[2-(p-tolyl)thiazol-4-yl]methyl]pyridine-3-carbonitrile CAS Name: 1-[[2-(4-methylphenyl)-4-thiazolyl]methyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 2-keto-5-nitro-1-[[2-(p-tolyl)thiazol-4-yl]methyl]nicotinonitrile Formula: C17H12N4O3S MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O3S/c1-11-2-4-12(5-3-11)16-19-14(10-25-16)8-20-9-15(21(23)24)6-13(7-18)17(20)22/h2-6,9-10H,8H2,1H3