1-[(4-chlorophenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-[(4-chlorophenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-[(4-chlorophenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-pyridine-3-carboxamide CAS Name: 1-[(4-chlorophenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(4-chlorophenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-6-oxopyridine-3-carboxamide Traditional Name: 1-(4-chlorobenzyl)-6-keto-N-(6-nitro-1,3-benzothiazol-2-yl)nicotinamide Formula: C20H13ClN4O4S MolecularWeight: 440.85962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H13ClN4O4S/c21-14-4-1-12(2-5-14)10-24-11-13(3-8-18(24)26)19(27)23-20-22-16-7-6-15(25(28)29)9-17(16)30-20/h1-9,11H,10H2,(H,22,23,27)