1-(3-chloranyl-4-methyl-phenyl)-3-(4,7-dimethylquinazolin-2-yl)sulfanyl-pyrrolidine-2,5-dione

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-(4,7-dimethylquinazolin-2-yl)sulfanyl-pyrrolidine-2,5-dione Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-(4,7-dimethylquinazolin-2-yl)sulfanyl-pyrrolidine-2,5-dione CAS Name: 1-(3-chloro-4-methylphenyl)-3-[(4,7-dimethyl-2-quinazolinyl)thio]pyrrolidine-2,5-dione IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-(4,7-dimethylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[(4,7-dimethylquinazolin-2-yl)thio]pyrrolidine-2,5-quinone Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)SC3CC(=O)N(C3=O)C4=CC(=C(C=C4)C)Cl)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)SC3CC(=O)N(C3=O)C4=CC(=C(C=C4)C)Cl)C

InChI

InChI=1S/C21H18ClN3O2S/c1-11-4-7-15-13(3)23-21(24-17(15)8-11)28-18-10-19(26)25(20(18)27)14-6-5-12(2)16(22)9-14/h4-9,18H,10H2,1-3H3