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2-(4-(4'-phenylpiperazino)phenyl)-5-chloro-3(2H)-isothiazolone
SpectraBase Compound ID LaC8dDAxS5u
InChI InChI=1S/C19H18ClN3OS/c20-18-14-19(24)23(25-18)17-8-6-16(7-9-17)22-12-10-21(11-13-22)15-4-2-1-3-5-15/h1-9,14H,10-13H2
InChIKey VTKOMTORNZXEHM-UHFFFAOYSA-N
Mol Weight 371.89 g/mol
Molecular Formula C19H18ClN3OS
Exact Mass 371.085911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGNAj1XRIG3
Name 2-(4-(4'-phenylpiperazino)phenyl)-5-chloro-3(2H)-isothiazolone
Alternate Name(s) 5-Chloro-2-(4-(4-phenylpiperazin-1-yl)phenyl)isothiazol-3(2H)-one 5-Chloro-2-[4-(4-phenyl-1-piperazinyl)phenyl]-3-isothiazolone 5-Chloro-2-[4-(4-phenylpiperazin-1-yl)phenyl]-1,2-thiazol-3-one 5-Chloro-2-[4-(4-phenylpiperazin-1-yl)phenyl]isothiazol-3-one 5-Chloranyl-2-[4-(4-phenylpiperazin-1-yl)phenyl]-1,2-thiazol-3-one
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Formula C19H18ClN3OS
InChI InChI=1S/C19H18ClN3OS/c20-18-14-19(24)23(25-18)17-8-6-16(7-9-17)22-12-10-21(11-13-22)15-4-2-1-3-5-15/h1-9,14H,10-13H2
InChIKey VTKOMTORNZXEHM-UHFFFAOYSA-N
Molecular Weight 371.886 g/mol
SMILES C1(N(SC(=C1)Cl)c1ccc(N2CCN(CC2)c2ccccc2)cc1)=O
SPLASH splash10-0w99-0291000000-da68e66b38f852414190
Source of Spectrum EMC-39-702-6p
Wiley ID 1734854