5-[1-(3-nitrophenyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[1-(3-nitrophenyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[1-(3-nitrophenyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[1-(3-nitrophenyl)ethylthio]-N-propyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[1-(3-nitrophenyl)ethylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[1-(3-nitrophenyl)ethylthio]-1,3,4-thiadiazol-2-yl]-propyl-amine Formula: C13H16N4O2S2 MolecularWeight: 324.42174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NN=C(S1)SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=NN=C(S1)SC(C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2S2/c1-3-7-14-12-15-16-13(21-12)20-9(2)10-5-4-6-11(8-10)17(18)19/h4-6,8-9H,3,7H2,1-2H3,(H,14,15)