1,3-Bis[2'-(pyridin-2-ylmethylideneimino)phenylsulfanylmethyl]benzene

SpectraBase Compound ID	7fChdnOuy1F
InChI	InChI=1S/C32H26N4S2/c1-3-16-31(29(14-1)35-21-27-12-5-7-18-33-27)37-23-25-10-9-11-26(20-25)24-38-32-17-4-2-15-30(32)36-22-28-13-6-8-19-34-28/h1-22H,23-24H2/b35-21-,36-22+
InChIKey	CAOXJQIYKMRSBZ-FHNKLNMBSA-N Google Search
Mol Weight	530.7 g/mol
Molecular Formula	C32H26N4S2
Exact Mass	530.159889 g/mol

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SpectraBase Spectrum ID	1OcMjOoQIOq
Name	1,3-bis[2'-(Pyridin-2-ylmethylideneimino)phenylsulfanylmethyl]benzene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	530.159889201 u
Formula	C32H26N4S2
InChI	InChI=1S/C32H26N4S2/c1-3-16-31(29(14-1)35-21-27-12-5-7-18-33-27)37-23-25-10-9-11-26(20-25)24-38-32-17-4-2-15-30(32)36-22-28-13-6-8-19-34-28/h1-22H,23-24H2/b35-21-,36-22+
InChIKey	CAOXJQIYKMRSBZ-FHNKLNMBSA-N
Molecular Weight	530.708 g/mol
SMILES	C=1(\N=C/C=2N=CC=CC2)C(SCC2=CC(CSC=3C(\N=C\C=4N=CC=CC4)=CC=CC3)=CC=C2)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.933867