AC1OBVDV

4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione

Also Known As: (E)-4-((4-chloro-3-nitrobenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol|4-[(1E)-2-(4-chloro-3-nitrophenyl)-1-azavinyl]-5-(2-furyl)-1,2,4-triazole-3-th iol|4-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(2-furyl)-4H-1,2,4-triazole-3-thiol|4-{[(E)-(4-chloro-3-nitrophenyl)methylidene]amino}-5-(furan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Molecular Formula	C13H8ClN5O3S
Molecular Weight	349.00363 g/mol
LogP	3.64449
Topological Polar Surface Area	102.25 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	349.00363
Monoisotopic Mass	349.00363
Heavy Atoms	23
Complexity	944.9282

Chemical Identifiers

CAS Number	500271-72-7
SMILES	C1=COC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]