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1,2,4-Triazine-6-carbonitrile, 2,3,4,5-tetrahydro-5-imino-2,4-diphenyl-3-thioxo-
SpectraBase Compound ID 3dw6pTOCclE
InChI InChI=1S/C16H11N5S/c17-11-14-15(18)20(12-7-3-1-4-8-12)16(22)21(19-14)13-9-5-2-6-10-13/h1-10,18H
InChIKey IXVIOMLFVJCJJN-UHFFFAOYSA-N
Mol Weight 305.36 g/mol
Molecular Formula C16H11N5S
Exact Mass 305.073517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaZ1m8EvnIa
Name 1,2,4-Triazine-6-carbonitrile, 2,3,4,5-tetrahydro-5-imino-2,4-diphenyl-3-thioxo-
Alternate Name(s) 2,4-Diphenyl-3-thioxo-5-imino-6-cyano-2,3,4,5-tetrahydro-1,2,4-triazine 5-imino-2,4-diphenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
CAS Registry Number 66706-93-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N5S
InChI InChI=1S/C16H11N5S/c17-11-14-15(18)20(12-7-3-1-4-8-12)16(22)21(19-14)13-9-5-2-6-10-13/h1-10,18H
InChIKey IXVIOMLFVJCJJN-UHFFFAOYSA-N
Molecular Weight 305.359 g/mol
SMILES N=C1N(C(N(N=C1C#N)c1ccccc1)=S)c1ccccc1
SPLASH splash10-002o-9300000000-fa0971ba2c1bf7989874
Source of Spectrum H-61-1177-0
Wiley ID 1307239