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

Systemtic Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one Openeye Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one CAS Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)thio]-2-butanone IUPAC Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one Traditional Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)thio]butan-2-one Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NC2=C(N1)C=C(C=C2)OC

Isomeric SMILES

CC(C(=O)C)SC1=NC2=C(N1)C=C(C=C2)OC

InChI

InChI=1S/C12H14N2O2S/c1-7(15)8(2)17-12-13-10-5-4-9(16-3)6-11(10)14-12/h4-6,8H,1-3H3,(H,13,14)