6-chloranyl-2-[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl]thio]quinazolin-4-one Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H19ClN2O2S/c1-4-11-24-20(26)17-12-16(22)9-10-18(17)23-21(24)27-14(3)19(25)15-7-5-13(2)6-8-15/h4-10,12,14H,1,11H2,2-3H3/t14-/m0/s1