N-[(3-nitrophenyl)methyl]-3-sulfanyl-pyridine-2-carboxamide

Systemtic Name: N-[(3-nitrophenyl)methyl]-3-sulfanyl-pyridine-2-carboxamide Openeye Name: N-[(3-nitrophenyl)methyl]-3-sulfanyl-pyridine-2-carboxamide CAS Name: 3-mercapto-N-[(3-nitrophenyl)methyl]-2-pyridinecarboxamide IUPAC Name: N-[(3-nitrophenyl)methyl]-3-sulfanylpyridine-2-carboxamide Traditional Name: 3-mercapto-N-(3-nitrobenzyl)picolinamide Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=O)C2=C(C=CC=N2)S

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=O)C2=C(C=CC=N2)S

InChI

InChI=1S/C13H11N3O3S/c17-13(12-11(20)5-2-6-14-12)15-8-9-3-1-4-10(7-9)16(18)19/h1-7,20H,8H2,(H,15,17)