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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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