N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide CAS Name: N-[5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: N-[5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: N-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]propionamide Formula: C12H12N4O3S2 MolecularWeight: 324.37868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=NN=C(S1)SCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S2/c1-2-10(17)13-11-14-15-12(21-11)20-7-8-4-3-5-9(6-8)16(18)19/h3-6H,2,7H2,1H3,(H,13,14,17)