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

Systemtic Name: 1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-[1-[2-(1-cyclohexenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-[(2-methyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(2-methylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(2-methylquinazolin-4-yl)thio]ethanone Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)CSC3=NC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)CSC3=NC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C25H29N3OS/c1-17-15-22(18(2)28(17)14-13-20-9-5-4-6-10-20)24(29)16-30-25-21-11-7-8-12-23(21)26-19(3)27-25/h7-9,11-12,15H,4-6,10,13-14,16H2,1-3H3