7-[[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]methyl]-4-(4-fluorophenyl)chromen-2-one

Systemtic Name: 7-[[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]methyl]-4-(4-fluorophenyl)chromen-2-one Openeye Name: 7-[[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]methyl]-4-(4-fluorophenyl)chromen-2-one CAS Name: 7-[[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]methyl]-4-(4-fluorophenyl)-1-benzopyran-2-one IUPAC Name: 7-[[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]methyl]-4-(4-fluorophenyl)chromen-2-one Traditional Name: 7-[[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]methyl]-4-(4-fluorophenyl)coumarin Formula: C22H20FN3O2S MolecularWeight: 409.476503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)NCC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)NCC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FN3O2S/c1-22(2,3)20-25-26-21(29-20)24-12-13-4-9-16-17(11-19(27)28-18(16)10-13)14-5-7-15(23)8-6-14/h4-11H,12H2,1-3H3,(H,24,26)