3-[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]thiolane 1,1-dioxide

Systemtic Name: 3-[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]thiolane 1,1-dioxide Openeye Name: 3-[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]thiolane 1,1-dioxide CAS Name: 3-[4-methyl-5-[(3-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]thiolane 1,1-dioxide IUPAC Name: 3-[4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]thiolane 1,1-dioxide Traditional Name: 3-[4-methyl-5-[(3-nitrobenzyl)thio]-1,2,4-triazol-3-yl]sulfolane Formula: C14H16N4O4S2 MolecularWeight: 368.43124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3CCS(=O)(=O)C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=CC=C2)[N+](=O)[O-])C3CCS(=O)(=O)C3

InChI

InChI=1S/C14H16N4O4S2/c1-17-13(11-5-6-24(21,22)9-11)15-16-14(17)23-8-10-3-2-4-12(7-10)18(19)20/h2-4,7,11H,5-6,8-9H2,1H3