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

Systemtic Name: 2-[[2-(1H-imidazol-2-yl)-5-nitro-phenyl]methyl]-5-propylsulfinyl-1,3,4-thiadiazole Openeye Name: 2-[[2-(1H-imidazol-2-yl)-5-nitro-phenyl]methyl]-5-propylsulfinyl-1,3,4-thiadiazole CAS Name: 2-[[2-(1H-imidazol-2-yl)-5-nitrophenyl]methyl]-5-propylsulfinyl-1,3,4-thiadiazole IUPAC Name: 2-[[2-(1H-imidazol-2-yl)-5-nitrophenyl]methyl]-5-propylsulfinyl-1,3,4-thiadiazole Traditional Name: 2-[2-(1H-imidazol-2-yl)-5-nitro-benzyl]-5-propylsulfinyl-1,3,4-thiadiazole Formula: C15H15N5O3S2 MolecularWeight: 377.4413

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)C1=NN=C(S1)CC2=C(C=CC(=C2)[N+](=O)[O-])C3=NC=CN3

Isomeric SMILES

CCCS(=O)C1=NN=C(S1)CC2=C(C=CC(=C2)[N+](=O)[O-])C3=NC=CN3

InChI

InChI=1S/C15H15N5O3S2/c1-2-7-25(23)15-19-18-13(24-15)9-10-8-11(20(21)22)3-4-12(10)14-16-5-6-17-14/h3-6,8H,2,7,9H2,1H3,(H,16,17)