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

*Links on SpectraBase are not permalinks.
3-pyridinecarboxamide, 5-cyano-2-methyl-4-[4-(1-methylethyl)phenyl]-N-(2-methylphenyl)-6-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-
SpectraBase Compound ID 7QFAfAXugDe
InChI InChI=1S/C36H31N3O2S/c1-22(2)25-13-16-27(17-14-25)34-30(20-37)36(38-24(4)33(34)35(41)39-31-12-8-5-9-23(31)3)42-21-32(40)29-18-15-26-10-6-7-11-28(26)19-29/h5-19,22H,21H2,1-4H3,(H,39,41)
InChIKey CANWTHOFLUMJRD-UHFFFAOYSA-N
Mol Weight 569.7 g/mol
Molecular Formula C36H31N3O2S
Exact Mass 569.213698 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 Ai9620UVYEE
Name 5-cyano-2-methyl-N-(2-methylphenyl)-6-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H31N3O2S
InChI InChI=1S/C36H31N3O2S/c1-22(2)25-13-16-27(17-14-25)34-30(20-37)36(38-24(4)33(34)35(41)39-31-12-8-5-9-23(31)3)42-21-32(40)29-18-15-26-10-6-7-11-28(26)19-29/h5-19,22H,21H2,1-4H3,(H,39,41)
InChIKey CANWTHOFLUMJRD-UHFFFAOYSA-N
Molecular Weight 569.723 g/mol
SMILES N(C(c1c(c(C#N)c(nc1C)SCC(c1cc2ccccc2cc1)=O)-c1ccc(cc1)C(C)C)=O)c1c(C)cccc1
SPLASH splash10-0a4i-1910100000-ba17394dbf9bd59bd804
Synonyms 5-cyano-2-methyl-N-(2-methylphenyl)-6-(2-naphthalen-2-yl-2-oxoethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3-carboxamide 5-cyano-2-methyl-N-(2-methylphenyl)-6-[[2-(2-naphthalenyl)-2-oxoethyl]thio]-4-(4-propan-2-ylphenyl)-3-pyridinecarboxamide 5-cyano-4-(4-isopropylphenyl)-2-methyl-6-[2-(2-naphthyl)-2-oxo-ethyl]sulfanyl-N-(o-tolyl)pyridine-3-carboxamide 5-cyano-6-[[2-keto-2-(2-naphthyl)ethyl]thio]-2-methyl-N-(o-tolyl)-4-p-cumenyl-nicotinamide
Wiley ID 1455033