N-[(4-nitrophenyl)methyl]-3-sulfanyl-pyridine-2-carboxamide

Systemtic Name: N-[(4-nitrophenyl)methyl]-3-sulfanyl-pyridine-2-carboxamide Openeye Name: N-[(4-nitrophenyl)methyl]-3-sulfanyl-pyridine-2-carboxamide CAS Name: 3-mercapto-N-[(4-nitrophenyl)methyl]-2-pyridinecarboxamide IUPAC Name: N-[(4-nitrophenyl)methyl]-3-sulfanylpyridine-2-carboxamide Traditional Name: 3-mercapto-N-(4-nitrobenzyl)picolinamide Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C1=CC(=C(N=C1)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

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