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Home > Pyridines > 242472-13-5
242472-13-5 | 1-benzyl-5-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one
CAS No: 242472-13-5 Catalog No: AG00IMRT MDL No:MFCD00140625
Product Description
Catalog Number:
AG00IMRT
Chemical Name:
1-benzyl-5-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one
CAS Number:
242472-13-5
Molecular Formula:
C17H16N4OS
Molecular Weight:
324.4001
MDL Number:
MFCD00140625
IUPAC Name:
1-benzyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
InChI:
InChI=1S/C17H16N4OS/c1-2-10-21-16(18-19-17(21)23)14-8-9-15(22)20(12-14)11-13-6-4-3-5-7-13/h2-9,12H,1,10-11H2,(H,19,23)
InChI Key:
AMOLORWZKJFUBQ-UHFFFAOYSA-N
SMILES:
C=CCn1c(S)nnc1c1ccc(=O)n(c1)Cc1ccccc1
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.104g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.402g/mol
Monoisotopic Mass:
324.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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