1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(1-methyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-methylbenzimidazol-2-yl)thio]ethanone Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3N2C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C19H21N3OS/c1-5-10-22-13(2)11-15(14(22)3)18(23)12-24-19-20-16-8-6-7-9-17(16)21(19)4/h5-9,11H,1,10,12H2,2-4H3