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2H-Thiopyran-5-carbonitrile, 6-amino-2-[(4-bromophenyl)imino]-4-phenyl-
SpectraBase Compound ID pVqiUXLZ3g
InChI InChI=1S/C18H12BrN3S/c19-13-6-8-14(9-7-13)21-17-10-15(12-4-2-1-3-5-12)16(11-20)18(23)22-17/h1-10H,(H2,21,22,23)
InChIKey ITTRLIUWQJVCCO-UHFFFAOYSA-N
Mol Weight 382.28 g/mol
Molecular Formula C18H12BrN3S
Exact Mass 380.993532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BI3JVOzBuJ
Name 2H-Thiopyran-5-carbonitrile, 6-amino-2-[(4-bromophenyl)imino]-4-phenyl-
Alternate Name(s) 2-p-bromophenylamino-4-phenyl-5-cyano-6-thioxo-1,6-dihydropyridine 2-p-bromophenylimino-4-phenyl-5-cyano-2H-thiopyran 6-(4-bromoanilino)-4-phenyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile
CAS Registry Number 89815-89-4
Comments Less than 3 mono-isotopic peaks
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Formula C18H12BrN3S
InChI InChI=1S/C18H12BrN3S/c19-13-6-8-14(9-7-13)21-17-10-15(12-4-2-1-3-5-12)16(11-20)18(23)22-17/h1-10H,(H2,21,22,23)
InChIKey ITTRLIUWQJVCCO-UHFFFAOYSA-N
Molecular Weight 382.279 g/mol
SMILES N1C(=CC(=C(C1=S)C#N)c1ccccc1)Nc1ccc(cc1)Br
SPLASH splash10-0udi-0094000000-839d9a87dd7e0964c386
Source of Spectrum AH-114-1194-0
Wiley ID 1360107