AC1NWZOP

2-[[5-(5-bromo-2-hydroxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone

Also Known As: 2-((4-allyl-5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone|(6Z)-4-bromo-6-[3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one|2-{[5-(5-bromo-2-hydroxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone|4-bromo-6-[3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Molecular Formula	C17H19BrN4O2S
Molecular Weight	422.0412 g/mol
LogP	3.3137
Topological Polar Surface Area	71.25 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	422.0412
Monoisotopic Mass	422.0412
Heavy Atoms	25
Complexity	786.9502

Chemical Identifiers

CAS Number	897546-35-9
SMILES	C=CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=C(C=CC(=C3)Br)O