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3-Isothiazolecarboxamide, 4-[(1,3-benzodioxol-5-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 32s5hQRLH6F
InChI InChI=1S/C19H14F3N3O3S/c20-19(21,22)12-2-1-3-13(7-12)24-18(26)17-14(9-29-25-17)23-8-11-4-5-15-16(6-11)28-10-27-15/h1-7,9,23H,8,10H2,(H,24,26)
InChIKey LZMRNYDEIDTDTA-UHFFFAOYSA-N
Mol Weight 421.39 g/mol
Molecular Formula C19H14F3N3O3S
Exact Mass 421.070797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uzuPu7eb5z
Name 3-Isothiazolecarboxamide, 4-[(1,3-benzodioxol-5-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14F3N3O3S
InChI InChI=1S/C19H14F3N3O3S/c20-19(21,22)12-2-1-3-13(7-12)24-18(26)17-14(9-29-25-17)23-8-11-4-5-15-16(6-11)28-10-27-15/h1-7,9,23H,8,10H2,(H,24,26)
InChIKey LZMRNYDEIDTDTA-UHFFFAOYSA-N
Molecular Weight 421.394 g/mol
SMILES N(C(c1c(csn1)NCc1cc2OCOc2cc1)=O)c1cc(C(F)(F)F)ccc1
SPLASH splash10-000i-5910100000-0d88f81d8372dfc1affd
Source of Spectrum IY-1-4623-0
Synonyms 4-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-3-isothiazolecarboxamide 4-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]isothiazole-3-carboxamide 4-(1,3-benzodioxol-5-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide
Wiley ID 1654213