SpectraBase Spectrum ID |
5xVxKsoeNpq |
Name |
N-{3-[2-(2-Chloro-acetylamino)-4,5,6,7-tetrahydro-benzo[b]thiophen-3-ylmethyl]-5-cyanomethylsulfanyl-[1,2,4]triazol-4-yl}-benzamide |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C22H21ClN6O2S2 |
InChI |
InChI=1S/C22H21ClN6O2S2/c23-13-19(30)25-21-16(15-8-4-5-9-17(15)33-21)12-18-26-27-22(32-11-10-24)29(18)28-20(31)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-9,11-13H2,(H,25,30)(H,28,31) |
InChIKey |
RASGKAMCRPNCFJ-UHFFFAOYSA-N |
Molecular Weight |
501.023 g/mol |
SMILES |
N(c1c(Cc2[n](c(nn2)SCC#N)NC(=O)c2ccccc2)c2c(s1)CCCC2)C(=O)CCl |
SPLASH |
splash10-0fc0-3111920000-dcd2e2b5c38241c3dbae |
Source of Spectrum |
F2-46-2070-5E |
Synonyms |
N-[3-[[2-[(2-chloro-1-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-5-(cyanomethylthio)-1,2,4-triazol-4-yl]benzamide
N-[3-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]benzamide
N-[3-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophen-3-yl]methyl]-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]benzamide
N-[3-[[2-(2-chloranylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]benzamide |
Wiley ID |
1689588 |