AC1LXJVE structure

AC1LXJVE

(5Z)-3-[(4-methylphenyl)methyl]-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Also Known As: (5Z)-3-(4-methylbenzyl)-5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one|(5Z)-3-[(4-methylphenyl)methyl]-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one|(Z)-3-(4-methylbenzyl)-5-((3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one

CAS: 955876-33-2
Molecular Formula C27H20N4O3S2
Molecular Weight 512.09766 g/mol
LogP 6.15732
Topological Polar Surface Area 81.27 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 512.09766
Monoisotopic Mass 512.09766
Heavy Atoms 36
Complexity 1511.7831

Chemical Identifiers

CAS Number 955876-33-2
SMILES CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN(N=C3C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5)/SC2=S

Product Overview

AC1LXJVE (CAS 955876-33-2), with molecular formula C27H20N4O3S2 and molecular weight 512.09766 g/mol. IUPAC: (5Z)-3-[(4-methylphenyl)methyl]-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

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