1-[(2,5-dimethylphenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-N-(5-nitrothiazol-2-yl)-6-oxo-pyridine-3-carboxamide CAS Name: 1-[(2,5-dimethylphenyl)methyl]-N-(5-nitro-2-thiazolyl)-6-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-N-(5-nitro-1,3-thiazol-2-yl)-6-oxopyridine-3-carboxamide Traditional Name: 1-(2,5-dimethylbenzyl)-6-keto-N-(5-nitrothiazol-2-yl)nicotinamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C=CC2=O)C(=O)NC3=NC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C=CC2=O)C(=O)NC3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-11-3-4-12(2)14(7-11)10-21-9-13(5-6-15(21)23)17(24)20-18-19-8-16(27-18)22(25)26/h3-9H,10H2,1-2H3,(H,19,20,24)