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

Systemtic Name: 3-(2,4-dimethylphenyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylthio]-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,4-dimethylphenyl)-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]quinazolin-4-one Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC4=NC(=NO4)C5=CC=NC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCC4=NC(=NO4)C5=CC=NC=C5)C

InChI

InChI=1S/C26H23N5O2S/c1-17-9-10-22(18(2)16-17)31-25(32)20-6-3-4-7-21(20)28-26(31)34-15-5-8-23-29-24(30-33-23)19-11-13-27-14-12-19/h3-4,6-7,9-14,16H,5,8,15H2,1-2H3