1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NC4=C(N3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CSC3=NC4=C(N3)C=C(C=C4)OC

InChI

InChI=1S/C23H23N3O2S/c1-15-11-19(16(2)26(15)13-17-7-5-4-6-8-17)22(27)14-29-23-24-20-10-9-18(28-3)12-21(20)25-23/h4-12H,13-14H2,1-3H3,(H,24,25)