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1,2-Benzenedicarbonitrile, 4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-5-nitro-
SpectraBase Compound ID 8Shbbe0bxym
InChI InChI=1S/C18H9N7O2S/c1-24-13-5-3-2-4-12(13)16-17(24)21-18(23-22-16)28-15-7-11(9-20)10(8-19)6-14(15)25(26)27/h2-7H,1H3
InChIKey MNTFGAJVSSGHKC-UHFFFAOYSA-N
Mol Weight 387.38 g/mol
Molecular Formula C18H9N7O2S
Exact Mass 387.053844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I2qbn6xrm8y
Name 1,2-Benzenedicarbonitrile, 4-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-5-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H9N7O2S
InChI InChI=1S/C18H9N7O2S/c1-24-13-5-3-2-4-12(13)16-17(24)21-18(23-22-16)28-15-7-11(9-20)10(8-19)6-14(15)25(26)27/h2-7H,1H3
InChIKey MNTFGAJVSSGHKC-UHFFFAOYSA-N
Molecular Weight 387.377 g/mol
SMILES C[n]1c2nc(Sc3cc(c(C#N)cc3N(=O)=O)C#N)nnc2c2c1cccc2
SPLASH splash10-0006-3519000000-40dde2656386d2e798a2
Source of Spectrum IY-1-4482-5
Synonyms 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-5-nitrobenzene-1,2-dicarbonitrile 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-5-nitrobenzene-1,2-dicarbonitrile 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-5-nitro-phthalonitrile 4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-5-nitro-benzene-1,2-dicarbonitrile
Wiley ID 1652808