AC1OAJCR

3-(4-chlorophenyl)-4-[(E)-pyridin-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione

Also Known As: (E)-5-(4-chlorophenyl)-4-((pyridin-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol|3-(4-chlorophenyl)-4-[(E)-pyridin-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione|5-(4-chlorophenyl)-4-{[(E)-2-pyridinylmethylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide|5-(4-chlorophenyl)-4-{[(E)-pyridin-2-ylmethylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione

Molecular Formula	C14H10ClN5S
Molecular Weight	315.03455 g/mol
LogP	3.53829
Topological Polar Surface Area	58.86 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	315.03455
Monoisotopic Mass	315.03455
Heavy Atoms	21
Complexity	820.5756

Chemical Identifiers

CAS Number	488129-44-8
SMILES	C1=CC=NC(=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)Cl