2-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[2-(azetidin-1-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[2-(1-azetidinyl)-2-oxoethyl]thio]-7-chloro-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-7-chloro-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azetidin-1-yl)-2-keto-ethyl]thio]-7-chloro-3-(o-tolyl)quinazolin-4-one Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCC4

InChI

InChI=1S/C20H18ClN3O2S/c1-13-5-2-3-6-17(13)24-19(26)15-8-7-14(21)11-16(15)22-20(24)27-12-18(25)23-9-4-10-23/h2-3,5-8,11H,4,9-10,12H2,1H3