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5,11-Imino-5H,11H-[1,5]dithiocino[2,3-b:6,7-b']dipyridine, 13-(4-bromophenyl)-
SpectraBase Compound ID I72inOf08IX
InChI InChI=1S/C18H12BrN3S2/c19-11-5-7-12(8-6-11)22-17-13-3-1-9-20-15(13)23-18(22)14-4-2-10-21-16(14)24-17/h1-10,17-18H/t17-,18-/m1/s1
InChIKey DBTFMNWFFBUKNO-QZTJIDSGSA-N
Mol Weight 414.34 g/mol
Molecular Formula C18H12BrN3S2
Exact Mass 412.965603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuTS6OgzQ15
Name 5,11-Imino-5H,11H-[1,5]dithiocino[2,3-b:6,7-b']dipyridine, 13-(4-bromophenyl)-
CAS Registry Number 72397-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12BrN3S2
InChI InChI=1S/C18H12BrN3S2/c19-11-5-7-12(8-6-11)22-17-13-3-1-9-20-15(13)23-18(22)14-4-2-10-21-16(14)24-17/h1-10,17-18H/t17-,18-/m1/s1
InChIKey DBTFMNWFFBUKNO-QZTJIDSGSA-N
Molecular Weight 414.339 g/mol
SMILES [C@@]12(N([C@@](c3c(S2)nccc3)(Sc2ncccc12)[H])c1ccc(cc1)Br)[H]
SPLASH splash10-0udi-3944700000-90d7bb44af2ebfca5633
Source of Spectrum F-35-872-0
Synonyms 13-p-bromophenyl-5,11-imino-5H,11H-dipyrido[2,3-b:2',3'-f][1,5]dithiocine 17-(4-bromophenyl)-8,16-dithia-6,14,17-triazatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaene
Wiley ID 1374951