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4H-1,2,4-triazole, 3-(2-furanyl)-5-[[(2E)-3-(4-nitrophenyl)-2-propenyl]thio]-4-phenyl-
SpectraBase Compound ID 975psjm7xFx
InChI InChI=1S/C21H16N4O3S/c26-25(27)18-12-10-16(11-13-18)6-5-15-29-21-23-22-20(19-9-4-14-28-19)24(21)17-7-2-1-3-8-17/h1-14H,15H2/b6-5+
InChIKey UVVMDHNBXWEUQX-AATRIKPKSA-N
Mol Weight 404.44 g/mol
Molecular Formula C21H16N4O3S
Exact Mass 404.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzgjRDJuB9L
Name 3-(2-furanyl)-5-[[(E)-3-(4-nitrophenyl)prop-2-enyl]thio]-4-phenyl-1,2,4-triazole
Alternate Name(s) 3-(2-furyl)-5-[(E)-3-(4-nitrophenyl)allyl]sulfanyl-4-phenyl-1,2,4-triazole 3-(2-furyl)-5-[[(E)-3-(4-nitrophenyl)allyl]thio]-4-phenyl-1,2,4-triazole 3-(furan-2-yl)-5-[(E)-3-(4-nitrophenyl)prop-2-enyl]sulfanyl-4-phenyl-1,2,4-triazole
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Formula C21H16N4O3S
InChI InChI=1S/C21H16N4O3S/c26-25(27)18-12-10-16(11-13-18)6-5-15-29-21-23-22-20(19-9-4-14-28-19)24(21)17-7-2-1-3-8-17/h1-14H,15H2/b6-5+
InChIKey UVVMDHNBXWEUQX-AATRIKPKSA-N
Molecular Weight 404.444 g/mol
SMILES c1ccc(-[n]2c(nnc2SC\C=C\c2ccc(N(=O)=O)cc2)-c2occc2)cc1
SPLASH splash10-014i-6931000000-d41d1d2c086970e62d41
Wiley ID 1461002