N-(2-methylpropyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(2-methylpropyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-isobutyl-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2-methylpropyl)-5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-methylpropyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: isobutyl-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C13H16N4O2S2 MolecularWeight: 324.42174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2S2/c1-9(2)7-14-12-15-16-13(21-12)20-8-10-4-3-5-11(6-10)17(18)19/h3-6,9H,7-8H2,1-2H3,(H,14,15)