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

Systemtic Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(2-methyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(2-methylquinazolin-4-yl)thio]ethanone Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC(=NC4=CC=CC=C43)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC(=NC4=CC=CC=C43)C)C)C

InChI

InChI=1S/C25H25N3OS/c1-15-10-11-20(12-16(15)2)28-17(3)13-22(18(28)4)24(29)14-30-25-21-8-6-7-9-23(21)26-19(5)27-25/h6-13H,14H2,1-5H3