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Home > Nitro Compounds > 478079-75-3
478079-75-3 | 4-ethyl-3-{[(3-nitrophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazole
CAS No: 478079-75-3 Catalog No: AG00IYTQ MDL No:MFCD02571280
Product Description
Catalog Number:
AG00IYTQ
Chemical Name:
4-ethyl-3-{[(3-nitrophenyl)methyl]sulfanyl}-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazole
CAS Number:
478079-75-3
Molecular Formula:
C19H18N4O2S
Molecular Weight:
366.4368
MDL Number:
MFCD02571280
IUPAC Name:
4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-5-[(E)-2-phenylethenyl]-1,2,4-triazole
InChI:
InChI=1S/C19H18N4O2S/c1-2-22-18(12-11-15-7-4-3-5-8-15)20-21-19(22)26-14-16-9-6-10-17(13-16)23(24)25/h3-13H,2,14H2,1H3/b12-11+
InChI Key:
PJPDWIGEPHEHRC-VAWYXSNFSA-N
SMILES:
CCn1c(nnc1/C=C/c1ccccc1)SCc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
366.115g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.439g/mol
Monoisotopic Mass:
366.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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