3-(2-methoxy-5-methyl-phenyl)-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2-methoxy-5-methyl-phenyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-methoxy-5-methylphenyl)-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(2-methoxy-5-methylphenyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4

InChI

InChI=1S/C22H19N3O3S/c1-14-9-10-20(28-2)18(12-14)25-21(27)15-6-3-4-7-16(15)24-22(25)29-13-19(26)17-8-5-11-23-17/h3-12,23H,13H2,1-2H3