3-(3,4-dimethylphenyl)-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,4-dimethylphenyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,4-dimethylphenyl)-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,4-dimethylphenyl)-2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]quinazolin-4-one Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O2S/c1-14-9-10-16(12-15(14)2)25-21(27)17-6-3-4-7-18(17)24-22(25)28-13-20(26)19-8-5-11-23-19/h3-12,23H,13H2,1-2H3