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

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(1-phenethyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-phenethylbenzimidazol-2-yl)thio]ethanone Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3OS/c1-4-15-28-19(2)17-22(20(28)3)25(30)18-31-26-27-23-12-8-9-13-24(23)29(26)16-14-21-10-6-5-7-11-21/h4-13,17H,1,14-16,18H2,2-3H3