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338418-78-3 | 2-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfanyl]-N'-[2-(1H-1,2,4-triazol-1-yl)ethanimidoyl]acetohydrazide
CAS No: 338418-78-3 Catalog No: AG00IY50 MDL No:MFCD00202289
Product Description
Catalog Number:
AG00IY50
Chemical Name:
2-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfanyl]-N'-[2-(1H-1,2,4-triazol-1-yl)ethanimidoyl]acetohydrazide
CAS Number:
338418-78-3
Molecular Formula:
C11H12N8OS2
Molecular Weight:
336.3960
MDL Number:
MFCD00202289
IUPAC Name:
N-[(Z)-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]amino]-2-[(4-cyano-5-methyl-1,2-thiazol-3-yl)sulfanyl]acetamide
InChI:
InChI=1S/C11H12N8OS2/c1-7-8(2-12)11(18-22-7)21-4-10(20)17-16-9(13)3-19-6-14-5-15-19/h5-6H,3-4H2,1H3,(H2,13,16)(H,17,20)
InChI Key:
UNNLZFKDFWYAED-UHFFFAOYSA-N
SMILES:
Cc1snc(c1C#N)SCC(=O)NNC(=N)Cn1cncn1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
336.058g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.392g/mol
Monoisotopic Mass:
336.058g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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