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benzamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-4-(5-methyl-1H-1,2,3-triazol-1-yl)-
SpectraBase Compound ID BJOPI04OEyW
InChI InChI=1S/C19H17N5OS/c1-12-11-21-23-24(12)14-8-6-13(7-9-14)18(25)22-19-16(10-20)15-4-2-3-5-17(15)26-19/h6-9,11H,2-5H2,1H3,(H,22,25)
InChIKey ZRIPVMKSWFVBPX-UHFFFAOYSA-N
Mol Weight 363.44 g/mol
Molecular Formula C19H17N5OS
Exact Mass 363.115381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DxJS8ICepnz
Name Benzamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[B]thien-2-yl)-4-(5-methyl-1H-1,2,3-triazol-1-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.115381360 u
Formula C19H17N5OS
InChI InChI=1S/C19H17N5OS/c1-12-11-21-23-24(12)14-8-6-13(7-9-14)18(25)22-19-16(10-20)15-4-2-3-5-17(15)26-19/h6-9,11H,2-5H2,1H3,(H,22,25)
InChIKey ZRIPVMKSWFVBPX-UHFFFAOYSA-N
Molecular Weight 363.439 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C#N)C(C1=CC=C(N2N=NC=C2C)C=C1)=O