5-[(4-nitrophenyl)methyl]-3H-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(4-nitrophenyl)methyl]-3H-1,3,4-thiadiazole-2-thione Openeye Name: 5-[(4-nitrophenyl)methyl]-3H-1,3,4-thiadiazole-2-thione CAS Name: 5-[(4-nitrophenyl)methyl]-3H-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[(4-nitrophenyl)methyl]-3H-1,3,4-thiadiazole-2-thione Traditional Name: 5-(4-nitrobenzyl)-3H-1,3,4-thiadiazole-2-thione Formula: C9H7N3O2S2 MolecularWeight: 253.30078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NNC(=S)S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=NNC(=S)S2)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O2S2/c13-12(14)7-3-1-6(2-4-7)5-8-10-11-9(15)16-8/h1-4H,5H2,(H,11,15)