4-butylsulfanyl-1-methyl-5-nitro-imidazole

Systemtic Name: 4-butylsulfanyl-1-methyl-5-nitro-imidazole Openeye Name: 4-butylsulfanyl-1-methyl-5-nitro-imidazole CAS Name: 4-(butylthio)-1-methyl-5-nitroimidazole IUPAC Name: 4-butylsulfanyl-1-methyl-5-nitroimidazole Traditional Name: 4-(butylthio)-1-methyl-5-nitro-imidazole Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(N(C=N1)C)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=C(N(C=N1)C)[N+](=O)[O-]

InChI

InChI=1S/C8H13N3O2S/c1-3-4-5-14-7-8(11(12)13)10(2)6-9-7/h6H,3-5H2,1-2H3