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

Systemtic Name: 2-(1-methyl-5-nitro-imidazol-2-yl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-(1-methyl-5-nitro-imidazol-2-yl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-(1-methyl-5-nitro-2-imidazolyl)-5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2-(1-methyl-5-nitroimidazol-2-yl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-(1-methyl-5-nitro-imidazol-2-yl)-5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazole Formula: C13H10N6O4S2 MolecularWeight: 378.3863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N6O4S2/c1-17-10(19(22)23)6-14-11(17)12-15-16-13(25-12)24-7-8-3-2-4-9(5-8)18(20)21/h2-6H,7H2,1H3