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

*Links on SpectraBase are not permalinks.
2-Amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)-5,7-dioxo-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile
SpectraBase Compound ID ASbcQfGF75J
InChI InChI=1S/C21H16BrN3O3S/c1-28-14-8-2-11(3-9-14)16-15(10-23)19(24)29-18-17(16)20(26)25(21(18)27)13-6-4-12(22)5-7-13/h2-9,16-18H,24H2,1H3
InChIKey RYQZQTPYOPTEQD-UHFFFAOYSA-N
Mol Weight 470.34 g/mol
Molecular Formula C21H16BrN3O3S
Exact Mass 469.009576 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 2qrRxl7QoM
Name 2-Amino-6-(4-bromophenyl)-4-(4-methoxyphenyl)-5,7-dioxo-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16BrN3O3S
InChI InChI=1S/C21H16BrN3O3S/c1-28-14-8-2-11(3-9-14)16-15(10-23)19(24)29-18-17(16)20(26)25(21(18)27)13-6-4-12(22)5-7-13/h2-9,16-18H,24H2,1H3
InChIKey RYQZQTPYOPTEQD-UHFFFAOYSA-N
Molecular Weight 470.341 g/mol
SMILES NC=1SC2C(C(C1C#N)c1ccc(cc1)OC)C(N(C2=O)c1ccc(cc1)Br)=O
SPLASH splash10-0gb9-4690000000-df9742f9a6ae4f147b9c
Synonyms 2-Amino-6-(4-bromophenyl)-5,7-diketo-4-(4-methoxyphenyl)-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile 2-Azanyl-6-(4-bromophenyl)-4-(4-methoxyphenyl)-5,7-bis(oxidanylidene)-4a,7a-dihydro-4H-thiopyrano[2,3-c]pyrrole-3-carbonitrile
Wiley ID 1445603