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3-benzyl-7-[5-(4-nitrophenyl)-2-furyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
SpectraBase Compound ID 5hNNhcK0VoX
InChI InChI=1S/C21H13N5O4S/c27-20-16(12-13-4-2-1-3-5-13)22-23-21-25(20)24-19(31-21)18-11-10-17(30-18)14-6-8-15(9-7-14)26(28)29/h1-11H,12H2
InChIKey LPUPSWHKXXUUKM-UHFFFAOYSA-N
Mol Weight 431.43 g/mol
Molecular Formula C21H13N5O4S
Exact Mass 431.068825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PiYWiZd2Rp
Name 3-benzyl-7-[5-(4-nitrophenyl)-2-furyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C21H13N5O4S
InChI InChI=1S/C21H13N5O4S/c27-20-16(12-13-4-2-1-3-5-13)22-23-21-25(20)24-19(31-21)18-11-10-17(30-18)14-6-8-15(9-7-14)26(28)29/h1-11H,12H2
InChIKey LPUPSWHKXXUUKM-UHFFFAOYSA-N
Molecular Weight 431.426 g/mol
SMILES C12=NN=C(C(N2N=C(S1)c1oc(cc1)-c1ccc(cc1)N(=O)=O)=O)Cc1ccccc1
SPLASH splash10-0f89-0000900000-f80dde63f0e81926f215
Source of Spectrum Y1-41-2691-3
Synonyms 3-benzyl-7-[5-(4-nitrophenyl)furan-2-yl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 7-[5-(4-nitrophenyl)-2-furanyl]-3-(phenylmethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one 7-[5-(4-nitrophenyl)furan-2-yl]-3-(phenylmethyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Wiley ID 1565125