7-chloranyl-3-(2-methylphenyl)-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(2-methylphenyl)-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-(o-tolyl)-2-[(1S)-2-oxocyclohexyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-(2-methylphenyl)-2-[[(1S)-2-oxocyclohexyl]thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methylphenyl)-2-[(1S)-2-oxocyclohexyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[[(1S)-2-ketocyclohexyl]thio]-3-(o-tolyl)quinazolin-4-one Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC4CCCCC4=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2S[C@H]4CCCCC4=O

InChI

InChI=1S/C21H19ClN2O2S/c1-13-6-2-3-7-17(13)24-20(26)15-11-10-14(22)12-16(15)23-21(24)27-19-9-5-4-8-18(19)25/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3/t19-/m0/s1