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-phenyl- 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-phenyl- 7H-(1,2,4)-triazolo[3,4-b]-(1,3,4)-thiadiazine
SpectraBase Compound ID BzNUKifnjNO
InChI InChI=1S/C27H18N6OS/c1-3-9-18(10-4-1)22-17-35-27-29-28-26(33(27)31-22)21-16-23(32(30-21)20-12-5-2-6-13-20)25-15-19-11-7-8-14-24(19)34-25/h1-16H,17H2
InChIKey AHRIAVCEVNGLSL-UHFFFAOYSA-N
Mol Weight 474.54 g/mol
Molecular Formula C27H18N6OS
Exact Mass 474.12628 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 BhcZpyje1Oe
Name 3-[5'-(Benzofuran-2'-yl)-1'-phenyl-1H-pyrazol-3'-yl]-6-phenyl- 7H-(1,2,4)-triazolo[3,4-b]-(1,3,4)-thiadiazine
Alternate Name(s) 3-[5-(2-benzofuranyl)-1-phenyl-3-pyrazolyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 3-[5-(1-benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H18N6OS
InChI InChI=1S/C27H18N6OS/c1-3-9-18(10-4-1)22-17-35-27-29-28-26(33(27)31-22)21-16-23(32(30-21)20-12-5-2-6-13-20)25-15-19-11-7-8-14-24(19)34-25/h1-16H,17H2
InChIKey AHRIAVCEVNGLSL-UHFFFAOYSA-N
Molecular Weight 474.542 g/mol
SMILES c1([n]2c(nn1)SCC(=N2)c1ccccc1)-c1n[n](-c2ccccc2)c(c1)-c1oc2ccccc2c1
SPLASH splash10-004i-9000100000-6056a44b7a617b3dce5a
Source of Spectrum AH-140-604-11
Wiley ID 1696164