1-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[(1H-benzimidazol-2-ylthio)methyl]-4-ethoxy-phenyl]ethanone Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H18N2O2S/c1-3-22-17-9-8-13(12(2)21)10-14(17)11-23-18-19-15-6-4-5-7-16(15)20-18/h4-10H,3,11H2,1-2H3,(H,19,20)