5-(1-benzothiophen-3-ylmethylsulfanyl)-1-methyl-4-nitro-imidazole

Systemtic Name: 5-(1-benzothiophen-3-ylmethylsulfanyl)-1-methyl-4-nitro-imidazole Openeye Name: 5-(benzothiophen-3-ylmethylsulfanyl)-1-methyl-4-nitro-imidazole CAS Name: 5-(1-benzothiophen-3-ylmethylthio)-1-methyl-4-nitroimidazole IUPAC Name: 5-(1-benzothiophen-3-ylmethylsulfanyl)-1-methyl-4-nitroimidazole Traditional Name: 5-(benzothiophen-3-ylmethylthio)-1-methyl-4-nitro-imidazole Formula: C13H11N3O2S2 MolecularWeight: 305.37534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SCC2=CSC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SCC2=CSC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O2S2/c1-15-8-14-12(16(17)18)13(15)20-7-9-6-19-11-5-3-2-4-10(9)11/h2-6,8H,7H2,1H3