N2,N6-bis[(2-nitrophenyl)carbamothioyl]pyridine-2,6-dicarboxamide

Systemtic Name: N2,N6-bis[(2-nitrophenyl)carbamothioyl]pyridine-2,6-dicarboxamide Openeye Name: N2,N6-bis[(2-nitrophenyl)carbamothioyl]pyridine-2,6-dicarboxamide CAS Name: N2,N6-bis[(2-nitroanilino)-sulfanylidenemethyl]pyridine-2,6-dicarboxamide IUPAC Name: 2-N,6-N-bis[(2-nitrophenyl)carbamothioyl]pyridine-2,6-dicarboxamide Traditional Name: N,N'-bis[(2-nitrophenyl)thiocarbamoyl]dipicolinamide Formula: C21H15N7O6S2 MolecularWeight: 525.5171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NC(=O)C2=NC(=CC=C2)C(=O)NC(=S)NC3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NC(=O)C2=NC(=CC=C2)C(=O)NC(=S)NC3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H15N7O6S2/c29-18(25-20(35)23-12-6-1-3-10-16(12)27(31)32)14-8-5-9-15(22-14)19(30)26-21(36)24-13-7-2-4-11-17(13)28(33)34/h1-11H,(H2,23,25,29,35)(H2,24,26,30,36)