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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-(3-phenylpropyl)-4-quinazolinone IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-(3-phenylpropyl)quinazolin-4-one Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-3-(3-phenylpropyl)quinazolin-4-one Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O2S/c1-16-20(17(2)28-25-16)15-29-23-24-21-13-7-6-12-19(21)22(27)26(23)14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13H,8,11,14-15H2,1-2H3