3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one

Systemtic Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one Openeye Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one CAS Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-2-butanone IUPAC Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one Traditional Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]butan-2-one Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)C

InChI

InChI=1S/C13H16N2O2S/c1-4-17-10-5-6-11-12(7-10)15-13(14-11)18-9(3)8(2)16/h5-7,9H,4H2,1-3H3,(H,14,15)