1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-[(2-methyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(2-methylquinazolin-4-yl)thio]ethanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C20H21N3OS/c1-5-10-23-13(2)11-17(14(23)3)19(24)12-25-20-16-8-6-7-9-18(16)21-15(4)22-20/h5-9,11H,1,10,12H2,2-4H3