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

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methylsulfanyl]quinazolin-4-one CAS Name: 2-[[5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methylthio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methylthio]quinazolin-4-one Formula: C22H18FN3O2S MolecularWeight: 407.460623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(ON=C1CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3O2S/c1-3-12-26-21(27)17-6-4-5-7-18(17)24-22(26)29-13-19-14(2)20(28-25-19)15-8-10-16(23)11-9-15/h3-11H,1,12-13H2,2H3