2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1H-benzimidazol-2-ylsulfanyl)ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1H-benzimidazol-2-ylthio)ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1H-benzimidazol-2-ylsulfanyl)ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1H-benzimidazol-2-ylthio)ethanone Formula: C17H17N3O2S MolecularWeight: 327.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H17N3O2S/c1-9-15(11(3)21)10(2)18-16(9)14(22)8-23-17-19-12-6-4-5-7-13(12)20-17/h4-7,18H,8H2,1-3H3,(H,19,20)