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

Systemtic Name: 5-[(2,4-dinitrophenyl)methyl]-3H-1,3,4-thiadiazole-2-thione Openeye Name: 5-[(2,4-dinitrophenyl)methyl]-3H-1,3,4-thiadiazole-2-thione CAS Name: 5-[(2,4-dinitrophenyl)methyl]-3H-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[(2,4-dinitrophenyl)methyl]-3H-1,3,4-thiadiazole-2-thione Traditional Name: 5-(2,4-dinitrobenzyl)-3H-1,3,4-thiadiazole-2-thione Formula: C9H6N4O4S2 MolecularWeight: 298.29834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC2=NNC(=S)S2

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC2=NNC(=S)S2

InChI

InChI=1S/C9H6N4O4S2/c14-12(15)6-2-1-5(7(4-6)13(16)17)3-8-10-11-9(18)19-8/h1-2,4H,3H2,(H,11,18)