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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3N2CC=C

InChI

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