7-chloranyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(3-methylphenyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(3-methylphenyl)quinazolin-4-one Openeye Name: 7-chloro-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-(m-tolyl)quinazolin-4-one CAS Name: 7-chloro-2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(3-methylphenyl)-4-quinazolinone IUPAC Name: 7-chloro-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(3-methylphenyl)quinazolin-4-one Traditional Name: 7-chloro-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-(m-tolyl)quinazolin-4-one Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)C(C)(C)C

InChI

InChI=1S/C21H21ClN2O2S/c1-13-6-5-7-15(10-13)24-19(26)16-9-8-14(22)11-17(16)23-20(24)27-12-18(25)21(2,3)4/h5-11H,12H2,1-4H3