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

Systemtic Name: 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanyl-ethanone CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]ethanone Formula: C25H24ClN3OS MolecularWeight: 449.99556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C25H24ClN3OS/c1-4-12-28-17(2)13-21(18(28)3)24(30)16-31-25-27-22-14-20(26)10-11-23(22)29(25)15-19-8-6-5-7-9-19/h4-11,13-14H,1,12,15-16H2,2-3H3