3-[3-(1-propylimidazol-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-(1-propylimidazol-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-(1-propylimidazol-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(1-propyl-2-imidazolyl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-(1-propylimidazol-2-yl)sulfanylpropyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(1-propylimidazol-2-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

CCCN1C=CN=C1SCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C16H20N4OS/c1-2-9-19-11-8-17-16(19)22-12-5-10-20-14-7-4-3-6-13(14)18-15(20)21/h3-4,6-8,11H,2,5,9-10,12H2,1H3,(H,18,21)