5-butylsulfanyl-1,3-dimethyl-6-nitro-benzimidazol-2-one

Systemtic Name: 5-butylsulfanyl-1,3-dimethyl-6-nitro-benzimidazol-2-one Openeye Name: 5-butylsulfanyl-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 5-(butylthio)-1,3-dimethyl-6-nitro-2-benzimidazolone IUPAC Name: 5-butylsulfanyl-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 5-(butylthio)-1,3-dimethyl-6-nitro-benzimidazol-2-one Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C2C(=C1)N(C(=O)N2C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=C(C=C2C(=C1)N(C(=O)N2C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3S/c1-4-5-6-20-12-8-10-9(7-11(12)16(18)19)14(2)13(17)15(10)3/h7-8H,4-6H2,1-3H3