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1-[1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-(2-thienyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
SpectraBase Compound ID 99BBgs8V9lq
InChI InChI=1S/C22H21ClN4OS/c1-15(28)21-24-27(19-8-6-16(23)7-9-19)22(20-5-4-14-29-20)26(21)18-12-10-17(11-13-18)25(2)3/h4-14,22H,1-3H3
InChIKey JSTDCJQVOLSWRR-UHFFFAOYSA-N
Mol Weight 424.95 g/mol
Molecular Formula C22H21ClN4OS
Exact Mass 424.11246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MbcSS3bHNR
Name 1-[1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-(2-thienyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Alternate Name(s) 1-[2-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone 1-[2-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone
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Formula C22H21ClN4OS
InChI InChI=1S/C22H21ClN4OS/c1-15(28)21-24-27(19-8-6-16(23)7-9-19)22(20-5-4-14-29-20)26(21)18-12-10-17(11-13-18)25(2)3/h4-14,22H,1-3H3
InChIKey JSTDCJQVOLSWRR-UHFFFAOYSA-N
Molecular Weight 424.950 g/mol
SMILES CN(c1ccc(N2C(=NN(C2c2sccc2)c2ccc(cc2)Cl)C(=O)C)cc1)C
SPLASH splash10-03di-2930100000-4330e109f045ef52b220
Wiley ID 1437386