3-(4-butan-2-ylphenyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC4=NC(=NO4)C5=CC=NC=C5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC4=NC(=NO4)C5=CC=NC=C5

InChI

InChI=1S/C28H27N5O2S/c1-3-19(2)20-10-12-22(13-11-20)33-27(34)23-7-4-5-8-24(23)30-28(33)36-18-6-9-25-31-26(32-35-25)21-14-16-29-17-15-21/h4-5,7-8,10-17,19H,3,6,9,18H2,1-2H3