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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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