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Ethyl 1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-(2-thienyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
SpectraBase Compound ID LraVRAVWDsS
InChI InChI=1S/C23H23ClN4O2S/c1-4-30-23(29)21-25-28(19-9-7-16(24)8-10-19)22(20-6-5-15-31-20)27(21)18-13-11-17(12-14-18)26(2)3/h5-15,22H,4H2,1-3H3
InChIKey AMDRXPXNFGMJCE-UHFFFAOYSA-N
Mol Weight 454.98 g/mol
Molecular Formula C23H23ClN4O2S
Exact Mass 454.123025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaqtPXhoxub
Name Ethyl 1-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-5-(2-thienyl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
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Formula C23H23ClN4O2S
InChI InChI=1S/C23H23ClN4O2S/c1-4-30-23(29)21-25-28(19-9-7-16(24)8-10-19)22(20-6-5-15-31-20)27(21)18-13-11-17(12-14-18)26(2)3/h5-15,22H,4H2,1-3H3
InChIKey AMDRXPXNFGMJCE-UHFFFAOYSA-N
Molecular Weight 454.976 g/mol
SMILES C=1(N(C(c2sccc2)N(N1)c1ccc(cc1)Cl)c1ccc(cc1)N(C)C)C(=O)OCC
SPLASH splash10-0pb9-1732900000-a67a383a5b10f579a1cf
Synonyms Ethyl 2-(4-chlorophenyl)-4-(4-dimethylaminophenyl)-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylate 2-(4-Chlorophenyl)-4-[4-(dimethylamino)phenyl]-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester Ethyl 2-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-3-(2-thienyl)-3H-1,2,4-triazole-5-carboxylate Ethyl 2-(4-chlorophenyl)-4-[4-(dimethylamino)phenyl]-3-thiophen-2-yl-3H-1,2,4-triazole-5-carboxylate
Wiley ID 1437481