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4-[5-(2-Methoxy-5-nitro-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-phenylamine
SpectraBase Compound ID vrEtDpH4xU
InChI InChI=1S/C17H17N5O3S/c1-21-16(11-3-5-13(18)6-4-11)19-20-17(21)26-10-12-9-14(22(23)24)7-8-15(12)25-2/h3-9H,10,18H2,1-2H3
InChIKey NTCJDVDCKQUTBB-UHFFFAOYSA-N
Mol Weight 371.42 g/mol
Molecular Formula C17H17N5O3S
Exact Mass 371.105211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdFWZJhjHzh
Name 4-[5-(2-Methoxy-5-nitro-benzylsulfanyl)-4-methyl-4H-[1,2,4]triazol-3-yl]-phenylamine
Alternate Name(s) 4-(5-[(2-Methoxy-5-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl)aniline 4-[5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]aniline 4-[5-[(2-methoxy-5-nitrophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]aniline [4-[5-[(2-methoxy-5-nitro-benzyl)thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]amine
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Formula C17H17N5O3S
InChI InChI=1S/C17H17N5O3S/c1-21-16(11-3-5-13(18)6-4-11)19-20-17(21)26-10-12-9-14(22(23)24)7-8-15(12)25-2/h3-9H,10,18H2,1-2H3
InChIKey NTCJDVDCKQUTBB-UHFFFAOYSA-N
Molecular Weight 371.415 g/mol
SMILES Nc1ccc(-c2[n](c(nn2)SCc2cc(N(=O)=O)ccc2OC)C)cc1
SPLASH splash10-066r-6932000000-e626f3b031ce9db33923
Wiley ID 1455095