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337928-23-1 | (Z)-1-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfonyl]-N-(4-methoxyphenyl)methanecarbohydrazonoyl cyanide
CAS No: 337928-23-1 Catalog No: AG00IMVR MDL No:MFCD00139215
Product Description
Catalog Number:
AG00IMVR
Chemical Name:
(Z)-1-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfonyl]-N-(4-methoxyphenyl)methanecarbohydrazonoyl cyanide
CAS Number:
337928-23-1
Molecular Formula:
C14H11N5O3S2
Molecular Weight:
361.3988
MDL Number:
MFCD00139215
IUPAC Name:
1-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfonyl]-N-(4-methoxyanilino)methanimidoyl cyanide
InChI:
InChI=1S/C14H11N5O3S2/c1-9-12(7-15)14(19-23-9)24(20,21)13(8-16)18-17-10-3-5-11(22-2)6-4-10/h3-6,17H,1-2H3
InChI Key:
ZACZWHZUNJGHST-UHFFFAOYSA-N
SMILES:
N#C/C(=N/Nc1ccc(cc1)OC)/S(=O)(=O)c1nsc(c1C#N)C
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.03g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.394g/mol
Monoisotopic Mass:
361.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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