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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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