N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: 3,5-dinitro-N-(5-sec-butylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: N-[5-(butan-2-ylthio)-1,3,4-thiadiazol-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C13H13N5O5S2 MolecularWeight: 383.40282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)SC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O5S2/c1-3-7(2)24-13-16-15-12(25-13)14-11(19)8-4-9(17(20)21)6-10(5-8)18(22)23/h4-7H,3H2,1-2H3,(H,14,15,19)