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

Systemtic Name: 7-chloranyl-3-(2-methylphenyl)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-(o-tolyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-(2-methylphenyl)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[(2-keto-2-pyrrolidino-ethyl)thio]-3-(o-tolyl)quinazolin-4-one Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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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)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCCC4

InChI

InChI=1S/C21H20ClN3O2S/c1-14-6-2-3-7-18(14)25-20(27)16-9-8-15(22)12-17(16)23-21(25)28-13-19(26)24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13H2,1H3