AC1LXTH4 structure

AC1LXTH4

3-(3-ethoxyphenyl)-4-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

Also Known As: 3-(3-ethoxyphenyl)-4-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione|4-[(1E,3E)-4-(2-nitrophenyl)-1-azabuta-1,3-dienyl]-5-(3-ethoxyphenyl)-1,2,4-tr iazole-3-thiol|5-(3-ethoxyphenyl)-4-((E)-((E)-3-(2-nitrophenyl)allylidene)amino)-4H-1,2,4-triazole-3-thiol|5-(3-ethoxyphenyl)-4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione|5-(3-ethoxyphenyl)-4-{[(E,2E)-3-(2-nitrophenyl)-2-propenylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide

CAS: 613249-84-6
Molecular Formula C19H17N5O3S
Molecular Weight 395.10522 g/mol
LogP 4.46189
Topological Polar Surface Area 98.34 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 395.10522
Monoisotopic Mass 395.10522
Heavy Atoms 28
Complexity 1100.6986

Chemical Identifiers

CAS Number 613249-84-6
SMILES CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C=C/C3=CC=CC=C3[N+](=O)[O-]

Product Overview

AC1LXTH4 (CAS 613249-84-6), with molecular formula C19H17N5O3S and molecular weight 395.10522 g/mol. IUPAC: 3-(3-ethoxyphenyl)-4-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.

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