7-chloranyl-3-(4-methylphenyl)-2-(2-oxidanylidenecyclohexyl)sulfanyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(4-methylphenyl)-2-(2-oxidanylidenecyclohexyl)sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-2-(2-oxocyclohexyl)sulfanyl-3-(p-tolyl)quinazolin-4-one CAS Name: 7-chloro-3-(4-methylphenyl)-2-[(2-oxocyclohexyl)thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(4-methylphenyl)-2-(2-oxocyclohexyl)sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[(2-ketocyclohexyl)thio]-3-(p-tolyl)quinazolin-4-one Formula: C21H19ClN2O2S MolecularWeight: 398.90576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC4CCCCC4=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC4CCCCC4=O

InChI

InChI=1S/C21H19ClN2O2S/c1-13-6-9-15(10-7-13)24-20(26)16-11-8-14(22)12-17(16)23-21(24)27-19-5-3-2-4-18(19)25/h6-12,19H,2-5H2,1H3