AC1Q3IMN

1-(4-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Also Known As: MLS-0058737.0001|1-(4-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone|1-(4-chlorophenyl)-2-[[4-(2-furfuryl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone|1-(4-chlorophenyl)-2-((4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone|1-(4-chlorophenyl)-2-[[4-(2-furanylmethyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone|1-(4-chlorophenyl)-2-[4-(2-furylmethyl)-5-(2-pyridyl)(1,2,4-triazol-3-ylthio)] ethan-1-one|1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one|1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Molecular Formula	C20H15ClN4O2S
Molecular Weight	410.06042 g/mol
LogP	3.6
Topological Polar Surface Area	99.1 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	410.06042
Monoisotopic Mass	410.06042
Heavy Atoms	28
Complexity	520.0

Chemical Identifiers

CAS Number	577982-98-0
SMILES	C1=CC=NC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC=C(C=C4)Cl
InChIKey	DMVRJTGKMZVVHI-UHFFFAOYSA-N