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

Systemtic Name: [4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: [4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: [4-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: [4-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: [4-[[(4-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=C2C(=CC=C1)OC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F

InChI

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