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

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-p-phenetylbenzimidazol-2-yl)thio]ethanone Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC=C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC=C)C

InChI

InChI=1S/C26H27N3O2S/c1-5-15-28-18(3)16-22(19(28)4)25(30)17-32-26-27-23-9-7-8-10-24(23)29(26)20-11-13-21(14-12-20)31-6-2/h5,7-14,16H,1,6,15,17H2,2-4H3