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

*Links on SpectraBase are not permalinks.
5-[(4-Benzyl-1(2H)-oxophthalazin-1(2H)-2-yl)methyl]-3-(piperidinylmethyl)-1-phenyl-1,3,4-triazol-2-thione
SpectraBase Compound ID FXaXDp9bAJW
InChI InChI=1S/C30H30N6OS/c37-29-26-17-9-8-16-25(26)27(20-23-12-4-1-5-13-23)31-34(29)21-28-32-35(22-33-18-10-3-11-19-33)30(38)36(28)24-14-6-2-7-15-24/h1-2,4-9,12-17H,3,10-11,18-22H2
InChIKey LDNVTCFGPRBEHZ-UHFFFAOYSA-N
Mol Weight 522.67 g/mol
Molecular Formula C30H30N6OS
Exact Mass 522.220181 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 FVia6A92c0A
Name 5-[(4-Benzyl-1(2H)-oxophthalazin-1(2H)-2-yl)methyl]-3-(piperidinylmethyl)-1-phenyl-1,3,4-triazol-2-thione
Alternate Name(s) 4-(Phenylmethyl)-2-[[4-phenyl-1-(1-piperidinylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]methyl]-1-phthalazinone 4-Benzyl-2-[[4-phenyl-1-(piperidin-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]methyl]phthalazin-1-one 4-Benzyl-2-[[4-phenyl-1-(1-piperidylmethyl)-5-thioxo-1,2,4-triazol-3-yl]methyl]phthalazin-1-one 4-(Phenylmethyl)-2-[[4-phenyl-1-(piperidin-1-ylmethyl)-5-sulfanylidene-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30N6OS
InChI InChI=1S/C30H30N6OS/c37-29-26-17-9-8-16-25(26)27(20-23-12-4-1-5-13-23)31-34(29)21-28-32-35(22-33-18-10-3-11-19-33)30(38)36(28)24-14-6-2-7-15-24/h1-2,4-9,12-17H,3,10-11,18-22H2
InChIKey LDNVTCFGPRBEHZ-UHFFFAOYSA-N
Molecular Weight 522.671 g/mol
SMILES C1(N(N=C(N1c1ccccc1)CN1N=C(Cc2ccccc2)c2c(C1=O)cccc2)CN1CCCCC1)=S
SPLASH splash10-004i-2930300000-1af059c3b22760f147ba
Source of Spectrum Y1-35-1072-19
Wiley ID 1526820