3-(3-chloranyl-4-methoxy-phenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-21(2,3)18(25)12-28-20-23-16-8-6-5-7-14(16)19(26)24(20)13-9-10-17(27-4)15(22)11-13/h5-11H,12H2,1-4H3