(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-propan-1-one CAS Name: (2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(2-methyl-4-quinazolinyl)thio]-1-propanone IUPAC Name: (2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-[(2-methylquinazolin-4-yl)thio]propan-1-one Formula: C24H23N3OS MolecularWeight: 401.52392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)SC3=NC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)SC3=NC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C24H23N3OS/c1-15-14-21(16(2)27(15)19-10-6-5-7-11-19)23(28)17(3)29-24-20-12-8-9-13-22(20)25-18(4)26-24/h5-14,17H,1-4H3/t17-/m0/s1