1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]ethanone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3N2CCOC

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3N2CCOC

InChI

InChI=1S/C21H25N3O2S/c1-5-10-23-15(2)13-17(16(23)3)20(25)14-27-21-22-18-8-6-7-9-19(18)24(21)11-12-26-4/h5-9,13H,1,10-12,14H2,2-4H3