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

Systemtic Name: 2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[[5-(m-tolyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[[5-(m-tolyl)-1,2,4-oxadiazol-3-yl]methylthio]quinazolin-4-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=NO2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=NO2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C21H20N4O3S/c1-14-6-4-7-15(12-14)19-23-18(24-28-19)13-29-21-22-17-9-3-2-8-16(17)20(27)25(21)10-5-11-26/h2-4,6-9,12,26H,5,10-11,13H2,1H3