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

Systemtic Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(2-methyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-[(2-methylquinazolin-4-yl)thio]ethanone Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C22H21N3O2S/c1-14-11-19(15(2)25(14)12-17-7-6-10-27-17)21(26)13-28-22-18-8-4-5-9-20(18)23-16(3)24-22/h4-11H,12-13H2,1-3H3