5-(4-fluorophenyl)-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]cyclohex-2-en-1-one

Systemtic Name: 5-(4-fluorophenyl)-3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]cyclohex-2-en-1-one Openeye Name: 5-(4-fluorophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one CAS Name: 5-(4-fluorophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-1-cyclohex-2-enone IUPAC Name: 5-(4-fluorophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one Traditional Name: 5-(4-fluorophenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]cyclohex-2-en-1-one Formula: C26H21FN2OS MolecularWeight: 428.521143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=CC(=O)CC(C4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=CC(=O)CC(C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H21FN2OS/c1-16-2-11-24-25(12-16)31-26(29-24)18-5-9-21(10-6-18)28-22-13-19(14-23(30)15-22)17-3-7-20(27)8-4-17/h2-12,15,19,28H,13-14H2,1H3