2-(1H-benzimidazol-2-ylsulfanyl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C18H21N3O2S MolecularWeight: 343.44324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H21N3O2S/c1-12-10-14(13(2)21(12)8-9-23-3)17(22)11-24-18-19-15-6-4-5-7-16(15)20-18/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)