AC1LQI0R

1-(3,4-dihydroxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Also Known As: MLS-0297802.0001|SR-01000767857-2|1-(3,4-dihydroxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone|2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone|1-(3,4-dihydroxyphenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone|1-(3,4-dihydroxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one|1-(3,4-dihydroxyphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone|1-[3,4-bis(oxidanyl)phenyl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone|2-((4-allyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dihydroxyphenyl)ethanone|2-(4-Allyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-(3,4-dihydroxy-phenyl)-ethanone

Molecular Formula	C18H16N4O3S
Molecular Weight	368.0943 g/mol
LogP	2.9123
Topological Polar Surface Area	101.13 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	368.0943
Monoisotopic Mass	368.0943
Heavy Atoms	26
Complexity	940.8642

Chemical Identifiers

CAS Number	577983-71-2
SMILES	C=CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CN=CC=C3