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Home > Imidazoles > 320423-13-0
320423-13-0 | (2Z)-3-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-2-(4-methoxyphenyl)prop-2-enenitrile
CAS No: 320423-13-0 Catalog No: AG00IO2G MDL No:MFCD01315698
Product Description
Catalog Number:
AG00IO2G
Chemical Name:
(2Z)-3-[2-(ethylsulfanyl)-1-methyl-1H-imidazol-5-yl]-2-(4-methoxyphenyl)prop-2-enenitrile
CAS Number:
320423-13-0
Molecular Formula:
C16H17N3OS
Molecular Weight:
299.3907
MDL Number:
MFCD01315698
IUPAC Name:
3-(2-ethylsulfanyl-3-methylimidazol-4-yl)-2-(4-methoxyphenyl)prop-2-enenitrile
InChI:
InChI=1S/C16H17N3OS/c1-4-21-16-18-11-14(19(16)2)9-13(10-17)12-5-7-15(20-3)8-6-12/h5-9,11H,4H2,1-3H3
InChI Key:
LEUTWQPBJCVGIX-UHFFFAOYSA-N
SMILES:
CCSc1ncc(n1C)/C=C(/c1ccc(cc1)OC)\C#N
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.392g/mol
Monoisotopic Mass:
299.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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