[3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: [3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: [3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [3-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: [3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: [3-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C27H24F3N3O2S MolecularWeight: 511.55857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C27H24F3N3O2S/c1-18-8-9-24-23(14-18)31-26(35-24)36-17-19-4-2-5-20(15-19)25(34)33-12-10-32(11-13-33)22-7-3-6-21(16-22)27(28,29)30/h2-9,14-16H,10-13,17H2,1H3