2-(1,3-benzothiazol-2-yl)-N-(2,4-dimethyl-6-nitro-phenyl)pyridine-3-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-N-(2,4-dimethyl-6-nitro-phenyl)pyridine-3-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-yl)-N-(2,4-dimethyl-6-nitro-phenyl)pyridine-3-carboxamide CAS Name: 2-(1,3-benzothiazol-2-yl)-N-(2,4-dimethyl-6-nitrophenyl)-3-pyridinecarboxamide IUPAC Name: 2-(1,3-benzothiazol-2-yl)-N-(2,4-dimethyl-6-nitrophenyl)pyridine-3-carboxamide Traditional Name: 2-(1,3-benzothiazol-2-yl)-N-(2,4-dimethyl-6-nitro-phenyl)nicotinamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H16N4O3S/c1-12-10-13(2)18(16(11-12)25(27)28)24-20(26)14-6-5-9-22-19(14)21-23-15-7-3-4-8-17(15)29-21/h3-11H,1-2H3,(H,24,26)