1-[[6-(phenylmethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[6-(phenylmethyl)-1H-benzimidazol-2-yl]sulfanyl]propan-2-one Openeye Name: 1-[(6-benzyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one CAS Name: 1-[[6-(phenylmethyl)-1H-benzimidazol-2-yl]thio]-2-propanone IUPAC Name: 1-[(6-benzyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one Traditional Name: 1-[(6-benzyl-1H-benzimidazol-2-yl)thio]acetone Formula: C17H16N2OS MolecularWeight: 296.38674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(N1)C=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NC2=C(N1)C=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H16N2OS/c1-12(20)11-21-17-18-15-8-7-14(10-16(15)19-17)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H,18,19)