1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]ethanone Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25N3O2S/c1-5-14-27-17(2)15-21(18(27)3)24(29)16-31-25-26-22-8-6-7-9-23(22)28(25)19-10-12-20(30-4)13-11-19/h5-13,15H,1,14,16H2,2-4H3