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

Systemtic Name: 3-butyl-2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-butyl-quinazolin-4-one CAS Name: 3-butyl-2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-quinazolinone IUPAC Name: 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-butylquinazolin-4-one Traditional Name: 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylthio]-3-butyl-quinazolin-4-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-2-3-13-26-21(27)17-11-7-8-12-18(17)23-22(26)29-15-20-24-19(25-28-20)14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3