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

Systemtic Name: 5-cyclohexylsulfanyl-1,3-dimethyl-6-nitro-benzimidazol-2-one Openeye Name: 5-cyclohexylsulfanyl-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 5-(cyclohexylthio)-1,3-dimethyl-6-nitro-2-benzimidazolone IUPAC Name: 5-cyclohexylsulfanyl-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 5-(cyclohexylthio)-1,3-dimethyl-6-nitro-benzimidazol-2-one Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)SC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)SC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O3S/c1-16-11-8-13(18(20)21)14(9-12(11)17(2)15(16)19)22-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3