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

*Links on SpectraBase are not permalinks.
3-(5-chlorobenzo[b]thien-3-yl)-4-methyl-5-{[p-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole
SpectraBase Compound ID 2DRj5t0mJUY
InChI InChI=1S/C19H13ClF3N3S2/c1-26-17(15-10-27-16-7-6-13(20)8-14(15)16)24-25-18(26)28-9-11-2-4-12(5-3-11)19(21,22)23/h2-8,10H,9H2,1H3
InChIKey WTMFWRYBZJXFSR-UHFFFAOYSA-N
Mol Weight 439.9 g/mol
Molecular Formula C19H13ClF3N3S2
Exact Mass 439.019152 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 3CSd8Bgrugu
Name 3-(5-Chloro-1-benzothien-3-yl)-4-methyl-5-{[4-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
Alternate Name(s) 3-(5-Chloro-benzo[b]thiophen-3-yl)-4-methyl-5-(4-trifluoromethyl-benzylsulfanyl)-4H-[1,2,4]triazole 5-(5-Chloro-1-benzothien-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl 4-(trifluoromethyl)benzyl sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13ClF3N3S2
InChI InChI=1S/C19H13ClF3N3S2/c1-26-17(15-10-27-16-7-6-13(20)8-14(15)16)24-25-18(26)28-9-11-2-4-12(5-3-11)19(21,22)23/h2-8,10H,9H2,1H3
InChIKey WTMFWRYBZJXFSR-UHFFFAOYSA-N
Molecular Weight 439.902 g/mol
SMILES c1(-c2c3c(ccc(c3)Cl)sc2)[n](c(SCc2ccc(C(F)(F)F)cc2)nn1)C
SPLASH splash10-0a4u-3950600000-346ee60976d4935d6f76
Wiley ID 1437557