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N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
SpectraBase Compound ID F55w7C8aVZh
InChI InChI=1S/C22H21N5O3S/c1-2-9-27-16-6-4-3-5-15(16)20-21(27)24-22(26-25-20)31-12-19(28)23-11-14-7-8-17-18(10-14)30-13-29-17/h3-8,10H,2,9,11-13H2,1H3,(H,23,28)
InChIKey XNZOCGCNRYBSPS-UHFFFAOYSA-N
Mol Weight 435.5 g/mol
Molecular Formula C22H21N5O3S
Exact Mass 435.136511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCOSdAOf77R
Name N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N5O3S
InChI InChI=1S/C22H21N5O3S/c1-2-9-27-16-6-4-3-5-15(16)20-21(27)24-22(26-25-20)31-12-19(28)23-11-14-7-8-17-18(10-14)30-13-29-17/h3-8,10H,2,9,11-13H2,1H3,(H,23,28)
InChIKey XNZOCGCNRYBSPS-UHFFFAOYSA-N
Molecular Weight 435.502 g/mol
SMILES N(C(CSc1nc2c(c3ccccc3[n]2CCC)nn1)=O)Cc1cc2OCOc2cc1
SPLASH splash10-0002-4960000000-b534a9cf698be8da8bdb
Synonyms N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide N-piperonyl-2-[(5-propyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide
Wiley ID 1442642