AC1NQ2FS structure

AC1NQ2FS

1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea

Also Known As: 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea|N-{1-[5-(Benzylsulfanyl)-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]ethyl}-N'-(2,3-dimethylphenyl)urea

CAS: 5975-45-1
Molecular Formula C26H26N6O3S
Molecular Weight 502.1787 g/mol
LogP 5.96734
Topological Polar Surface Area 114.98 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 8
Exact Mass 502.1787
Monoisotopic Mass 502.1787
Heavy Atoms 36
Complexity 1372.4573

Chemical Identifiers

CAS Number 5975-45-1
SMILES CC1=C(C(=CC=C1)NC(=O)NC(C)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4)C

Product Overview

AC1NQ2FS (CAS 5975-45-1), with molecular formula C26H26N6O3S and molecular weight 502.1787 g/mol. IUPAC: 1-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]-3-(2,3-dimethylphenyl)urea.

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