For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-[5'-(Benzofuran-2'-yl)-1'-phenyl-1H-pyrazol-3'-yl]-6-methyl- 7-[2"-(p-chlorophenyl)hydrazono]-7H-(1,2,4)-triazolo[3,4-b]-(1,3,4)-thiadiazine

View entire compound with spectra: 1 MS (GC)

3-[5'-(Benzofuran-2'-yl)-1'-phenyl-1H-pyrazol-3'-yl]-6-methyl- 7-[2"-(p-chlorophenyl)hydrazono]-7H-(1,2,4)-triazolo[3,4-b]-(1,3,4)-thiadiazine
SpectraBase Compound ID HOT2AOvdvQ7
InChI InChI=1S/C28H19ClN8OS/c1-17-27(32-30-20-13-11-19(29)12-14-20)39-28-33-31-26(37(28)34-17)22-16-23(36(35-22)21-8-3-2-4-9-21)25-15-18-7-5-6-10-24(18)38-25/h2-16,30H,1H3/b32-27+
InChIKey ILLGEHJEPLHBGT-QVAGMWBUSA-N
Mol Weight 551.03 g/mol
Molecular Formula C28H19ClN8OS
Exact Mass 550.109106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ANIOR2g8bhC
Name 3-[5'-(Benzofuran-2'-yl)-1'-phenyl-1H-pyrazol-3'-yl]-6-methyl- 7-[2"-(p-chlorophenyl)hydrazono]-7H-(1,2,4)-triazolo[3,4-b]-(1,3,4)-thiadiazine
Alternate Name(s) N-[(E)-[3-[5-(2-benzofuranyl)-1-phenyl-3-pyrazolyl]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]amino]-4-chloroaniline N-[(E)-[3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]amino]-4-chloroaniline N-[(E)-[3-[5-(benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]amino]-4-chloro-aniline N-[(E)-[3-[5-(1-benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]-6-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-ylidene]amino]-4-chloranyl-aniline
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H19ClN8OS
InChI InChI=1S/C28H19ClN8OS/c1-17-27(32-30-20-13-11-19(29)12-14-20)39-28-33-31-26(37(28)34-17)22-16-23(36(35-22)21-8-3-2-4-9-21)25-15-18-7-5-6-10-24(18)38-25/h2-16,30H,1H3/b32-27+
InChIKey ILLGEHJEPLHBGT-QVAGMWBUSA-N
Molecular Weight 551.028 g/mol
SMILES N(\N=C/1C(=N[n]2c(-c3n[n](-c4ccccc4)c(c3)-c3oc4ccccc4c3)nnc2S1)C)c1ccc(cc1)Cl
SPLASH splash10-004i-9000010000-07d87fca458f3f57ec65
Source of Spectrum AH-140-604-12b
Wiley ID 1696162