2-[[2-(1H-imidazol-2-yl)-5-nitro-phenyl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-[[2-(1H-imidazol-2-yl)-5-nitro-phenyl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-[[2-(1H-imidazol-2-yl)-5-nitro-phenyl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole CAS Name: 2-[[2-(1H-imidazol-2-yl)-5-nitrophenyl]methyl]-5-(methylthio)-1,3,4-thiadiazole IUPAC Name: 2-[[2-(1H-imidazol-2-yl)-5-nitrophenyl]methyl]-5-methylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-[2-(1H-imidazol-2-yl)-5-nitro-benzyl]-5-(methylthio)-1,3,4-thiadiazole Formula: C13H11N5O2S2 MolecularWeight: 333.38874

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)CC2=C(C=CC(=C2)[N+](=O)[O-])C3=NC=CN3

Isomeric SMILES

CSC1=NN=C(S1)CC2=C(C=CC(=C2)[N+](=O)[O-])C3=NC=CN3

InChI

InChI=1S/C13H11N5O2S2/c1-21-13-17-16-11(22-13)7-8-6-9(18(19)20)2-3-10(8)12-14-4-5-15-12/h2-6H,7H2,1H3,(H,14,15)