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

Systemtic Name: 3-butyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Openeye Name: 3-butyl-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]quinazolin-4-one CAS Name: 3-butyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylthio]-4-quinazolinone IUPAC Name: 3-butyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one Traditional Name: 3-butyl-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]quinazolin-4-one Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCCCC3=NC(=NO3)C4=CC=NC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCCCC3=NC(=NO3)C4=CC=NC=C4

InChI

InChI=1S/C22H23N5O2S/c1-2-3-14-27-21(28)17-7-4-5-8-18(17)24-22(27)30-15-6-9-19-25-20(26-29-19)16-10-12-23-13-11-16/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3