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

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-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-(4-sec-butylphenyl)quinazolin-4-one Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O2S/c1-3-16(2)17-10-12-18(13-11-17)27-23(29)19-7-4-5-8-20(19)26-24(27)30-15-22(28)21-9-6-14-25-21/h4-14,16,25H,3,15H2,1-2H3