2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-(3-phenylpropyl)-4-quinazolinone IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-3-(3-phenylpropyl)quinazolin-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CSC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-16-14-18(24-27-16)15-28-22-23-20-12-6-5-11-19(20)21(26)25(22)13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,14H,7,10,13,15H2,1H3