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

Systemtic Name: 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-p-phenetylbenzimidazol-2-yl)thio]ethanone Formula: C28H27N3O3S MolecularWeight: 485.59728

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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)CC5=CC=CO5)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)C4=C(N(C(=C4)C)CC5=CC=CO5)C

InChI

InChI=1S/C28H27N3O3S/c1-4-33-22-13-11-21(12-14-22)31-26-10-6-5-9-25(26)29-28(31)35-18-27(32)24-16-19(2)30(20(24)3)17-23-8-7-15-34-23/h5-16H,4,17-18H2,1-3H3