1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]ethanone IUPAC Name: 1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanone Traditional Name: 1-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[1-(m-tolyl)imidazol-2-yl]thio]ethanone Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)C3=C(N(C(=C3)C)CCCOC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)C3=C(N(C(=C3)C)CCCOC)C

InChI

InChI=1S/C22H27N3O2S/c1-16-7-5-8-19(13-16)25-11-9-23-22(25)28-15-21(26)20-14-17(2)24(18(20)3)10-6-12-27-4/h5,7-9,11,13-14H,6,10,12,15H2,1-4H3