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

Systemtic Name: 2-ethylsulfanyl-5-[[2-(1H-imidazol-2-yl)-5-nitro-phenyl]methyl]-1,3,4-thiadiazole Openeye Name: 2-ethylsulfanyl-5-[[2-(1H-imidazol-2-yl)-5-nitro-phenyl]methyl]-1,3,4-thiadiazole CAS Name: 2-(ethylthio)-5-[[2-(1H-imidazol-2-yl)-5-nitrophenyl]methyl]-1,3,4-thiadiazole IUPAC Name: 2-ethylsulfanyl-5-[[2-(1H-imidazol-2-yl)-5-nitrophenyl]methyl]-1,3,4-thiadiazole Traditional Name: 2-(ethylthio)-5-[2-(1H-imidazol-2-yl)-5-nitro-benzyl]-1,3,4-thiadiazole Formula: C14H13N5O2S2 MolecularWeight: 347.41532

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)CC2=C(C=CC(=C2)[N+](=O)[O-])C3=NC=CN3

Isomeric SMILES

CCSC1=NN=C(S1)CC2=C(C=CC(=C2)[N+](=O)[O-])C3=NC=CN3

InChI

InChI=1S/C14H13N5O2S2/c1-2-22-14-18-17-12(23-14)8-9-7-10(19(20)21)3-4-11(9)13-15-5-6-16-13/h3-7H,2,8H2,1H3,(H,15,16)