3-(3-chloranyl-2-methyl-phenyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-2-methyl-phenyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-2-methylphenyl)-2-[[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-2-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-2-methyl-phenyl)-2-[[2-keto-2-(1-methylpyrrol-2-yl)ethyl]thio]quinazolin-4-one Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CN4C

InChI

InChI=1S/C22H18ClN3O2S/c1-14-16(23)8-5-10-18(14)26-21(28)15-7-3-4-9-17(15)24-22(26)29-13-20(27)19-11-6-12-25(19)2/h3-12H,13H2,1-2H3