2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C22H22N4O3S/c1-2-15-8-10-16(11-9-15)20-24-19(29-25-20)14-30-22-23-18-7-4-3-6-17(18)21(28)26(22)12-5-13-27/h3-4,6-11,27H,2,5,12-14H2,1H3