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

Systemtic Name: 1-[(3-methylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-(m-tolylmethyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-pyridine-3-carboxamide CAS Name: 1-[(3-methylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-[(3-methylphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide Traditional Name: 2-keto-1-(3-methylbenzyl)-N-(6-nitro-1,3-benzothiazol-2-yl)nicotinamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C(C2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C(C2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-13-4-2-5-14(10-13)12-24-9-3-6-16(20(24)27)19(26)23-21-22-17-8-7-15(25(28)29)11-18(17)30-21/h2-11H,12H2,1H3,(H,22,23,26)