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

Systemtic Name: 3-(4-methylphenyl)-2-(2-oxidanylidenecyclohexyl)sulfanyl-quinazolin-4-one Openeye Name: 2-(2-oxocyclohexyl)sulfanyl-3-(p-tolyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-[(2-oxocyclohexyl)thio]-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-(2-oxocyclohexyl)sulfanylquinazolin-4-one Traditional Name: 2-[(2-ketocyclohexyl)thio]-3-(p-tolyl)quinazolin-4-one Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCC4=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCC4=O

InChI

InChI=1S/C21H20N2O2S/c1-14-10-12-15(13-11-14)23-20(25)16-6-2-3-7-17(16)22-21(23)26-19-9-5-4-8-18(19)24/h2-3,6-7,10-13,19H,4-5,8-9H2,1H3