4-[(4-nitrophenyl)methylsulfanyl]pyridine-2-carbothioamide

Systemtic Name: 4-[(4-nitrophenyl)methylsulfanyl]pyridine-2-carbothioamide Openeye Name: 4-[(4-nitrophenyl)methylsulfanyl]pyridine-2-carbothioamide CAS Name: 4-[(4-nitrophenyl)methylthio]-2-pyridinecarbothioamide IUPAC Name: 4-[(4-nitrophenyl)methylsulfanyl]pyridine-2-carbothioamide Traditional Name: 4-[(4-nitrobenzyl)thio]thiopicolinamide Formula: C13H11N3O2S2 MolecularWeight: 305.37534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC(=NC=C2)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC(=NC=C2)C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O2S2/c14-13(19)12-7-11(5-6-15-12)20-8-9-1-3-10(4-2-9)16(17)18/h1-7H,8H2,(H2,14,19)