4-propan-2-yloxy-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]carbonyl-benzenecarbonitrile

Systemtic Name: 4-propan-2-yloxy-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]carbonyl-benzenecarbonitrile Openeye Name: 4-isopropoxy-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1-piperazinyl]methyl]-4-propan-2-yloxybenzonitrile IUPAC Name: 4-propan-2-yloxy-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]benzonitrile Traditional Name: 4-isopropoxy-3-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]benzonitrile Formula: C18H18F3N5O2S MolecularWeight: 425.42803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C#N)C(=O)N2CCN(CC2)C3=NN=C(S3)C(F)(F)F

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C#N)C(=O)N2CCN(CC2)C3=NN=C(S3)C(F)(F)F

InChI

InChI=1S/C18H18F3N5O2S/c1-11(2)28-14-4-3-12(10-22)9-13(14)15(27)25-5-7-26(8-6-25)17-24-23-16(29-17)18(19,20)21/h3-4,9,11H,5-8H2,1-2H3