tert-butyl 4-[(Z)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]pyrazole-1-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: tert-butyl 4-[(Z)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]pyrazole-1-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: tert-butyl 4-[(Z)-(4-acetylsulfanyl-3-piperidylidene)methyl]pyrazole-1-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 4-[(Z)-[4-(acetylthio)-3-piperidinylidene]methyl]-1-pyrazolecarboxylic acid tert-butyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: tert-butyl 4-[(Z)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]pyrazole-1-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 4-[(Z)-[4-(acetylthio)-3-piperidylidene]methyl]pyrazole-1-carboxylic acid tert-butyl ester; 2,2,2-trifluoroacetic acid Formula: C18H24F3N3O5S MolecularWeight: 451.46047

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCNCC1=CC2=CN(N=C2)C(=O)OC(C)(C)C.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=O)SC\1CCNC/C1=C/C2=CN(N=C2)C(=O)OC(C)(C)C.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H23N3O3S.C2HF3O2/c1-11(20)23-14-5-6-17-9-13(14)7-12-8-18-19(10-12)15(21)22-16(2,3)4;3-2(4,5)1(6)7/h7-8,10,14,17H,5-6,9H2,1-4H3;(H,6,7)/b13-7-;