AC1OATY0

3-(4-tert-butylphenyl)-4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione

Also Known As: 3-(4-tert-butylphenyl)-4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione|5-(4-(tert-butyl)phenyl)-4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-4H-1,2,4-triazole-3-thiol|5-(4-tert-butylphenyl)-4-{[(1E,2E)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione

Molecular Formula	C21H21ClN4S
Molecular Weight	396.11755 g/mol
LogP	6.01899
Topological Polar Surface Area	45.97 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	396.11755
Monoisotopic Mass	396.11755
Heavy Atoms	27
Complexity	1022.5387

Chemical Identifiers

CAS Number	613230-75-4
SMILES	CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C(=C\C3=CC=CC=C3)/Cl