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AR-C133611XX;3-[[3-(2-CHLOROPHENYL)-4,5-DIHYDRO-5-THIOXO-1H-1,2,4-TRIAZOL-1-YL]-METHYL]-BENZONITRILE

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AR-C133611XX;3-[[3-(2-CHLOROPHENYL)-4,5-DIHYDRO-5-THIOXO-1H-1,2,4-TRIAZOL-1-YL]-METHYL]-BENZONITRILE
SpectraBase Compound ID HdH2nZEQ4aE
InChI InChI=1S/C16H11ClN4S/c17-14-7-2-1-6-13(14)15-19-16(22)21(20-15)10-12-5-3-4-11(8-12)9-18/h1-8H,10H2,(H,19,20,22)
InChIKey AXDQIUHKAOYQBM-UHFFFAOYSA-N
Mol Weight 326.81 g/mol
Molecular Formula C16H11ClN4S
Exact Mass 326.039295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dw84v70hJtC
Name AR-C133611XX;3-[[3-(2-CHLOROPHENYL)-4,5-DIHYDRO-5-THIOXO-1H-1,2,4-TRIAZOL-1-YL]-METHYL]-BENZONITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H11ClN4S
InChI InChI=1S/C16H11ClN4S/c17-14-7-2-1-6-13(14)15-19-16(22)21(20-15)10-12-5-3-4-11(8-12)9-18/h1-8H,10H2,(H,19,20,22)
InChIKey AXDQIUHKAOYQBM-UHFFFAOYSA-N
Literature Reference Author I.J.MARTIN,R.J.LEWIS,R.V.BONNERT,P.CAGE,G.C.MOODY
Literature Reference Citation DRUG.MET.DISP.,31,694(2003)
Literature Reference DOI 10.1124/dmd.31.6.694
Molecular Weight 326.803 g/mol
Source File Reference UWLU74298