4-allyl-3-(benzylthio)-5-(4-nitrophenyl)-4H-1,2,4-triazole
3-benzylsulfanyl-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole
Also Known As: AB00102706-01|F0796-0034|4-allyl-3-(benzylthio)-5-(4-nitrophenyl)-4H-1,2,4-triazole|SR-01000908097-1|3-(benzylsulfanyl)-5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole|3-benzylsulfanyl-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole|4-allyl-3-(benzylthio)-5-(p-nitrophenyl)-4H-1,2,4-triazole
| Molecular Formula | C18H16N4O2S |
|---|---|
| Molecular Weight | 352.0994 g/mol |
| LogP | 4.3316 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.0994 |
| Monoisotopic Mass | 352.0994 |
| Heavy Atoms | 25 |
| Complexity | 875.85156 |
Chemical Identifiers
| CAS Number | 331985-08-1 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-allyl-3-(benzylthio)-5-(4-nitrophenyl)-4H-1,2,4-triazole (CAS 331985-08-1), with molecular formula C18H16N4O2S and molecular weight 352.0994 g/mol. IUPAC: 3-benzylsulfanyl-5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazole.
4-allyl-3-(benzylthio)-5-(4-nitrophenyl)-4H-1,2,4-triazole is a custom synthesis product. We offer services from milligram to kilogram scale.
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