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9,10-Bis(4-amino-5-phenyl-1,2,4-triazol-3-ylsulfanylmethyl)-anthracene
SpectraBase Compound ID 8NJIDqR4tu0
InChI InChI=1S/C32H26N8S2/c33-39-29(21-11-3-1-4-12-21)35-37-31(39)41-19-27-23-15-7-9-17-25(23)28(26-18-10-8-16-24(26)27)20-42-32-38-36-30(40(32)34)22-13-5-2-6-14-22/h1-18H,19-20,33-34H2
InChIKey LFNJOMRVMPLUTP-UHFFFAOYSA-N
Mol Weight 586.7 g/mol
Molecular Formula C32H26N8S2
Exact Mass 586.172185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mC9cnz9c
Name 9,10-Bis(4-amino-5-phenyl-1,2,4-triazol-3-ylsulfanylmethyl)-anthracene
Alternate Name(s) 3-[[10-[[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-9-anthracenyl]methylthio]-5-phenyl-1,2,4-triazol-4-amine 3-[[10-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]anthracen-9-yl]methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine 3-[[10-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-9-anthryl]methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine 3-[[10-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]anthracen-9-yl]methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
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Formula C32H26N8S2
InChI InChI=1S/C32H26N8S2/c33-39-29(21-11-3-1-4-12-21)35-37-31(39)41-19-27-23-15-7-9-17-25(23)28(26-18-10-8-16-24(26)27)20-42-32-38-36-30(40(32)34)22-13-5-2-6-14-22/h1-18H,19-20,33-34H2
InChIKey LFNJOMRVMPLUTP-UHFFFAOYSA-N
Molecular Weight 586.736 g/mol
SMILES N[n]1c(SCc2c3c(c(CSc4nnc([n]4N)-c4ccccc4)c4c2cccc4)cccc3)nnc1-c1ccccc1
SPLASH splash10-0f6x-0912000000-503480b0d72589fdda0b
Source of Spectrum Y-46-662-27b
Wiley ID 1666822