3-(3-chloranyl-2-methyl-phenyl)-2-(2-oxidanylidenecyclohexyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-2-(2-oxidanylidenecyclohexyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-2-methyl-phenyl)-2-(2-oxocyclohexyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-2-methylphenyl)-2-[(2-oxocyclohexyl)thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-2-methylphenyl)-2-(2-oxocyclohexyl)sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-2-methyl-phenyl)-2-[(2-ketocyclohexyl)thio]quinazolin-4-one Formula: C21H19ClN2O2S MolecularWeight: 398.90576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCC4=O

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCC4=O

InChI

InChI=1S/C21H19ClN2O2S/c1-13-15(22)8-6-10-17(13)24-20(26)14-7-2-3-9-16(14)23-21(24)27-19-12-5-4-11-18(19)25/h2-3,6-10,19H,4-5,11-12H2,1H3