AC1OBSG3
methyl 4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate
Also Known As: (E)-methyl 4-(((3-mercapto-5-(o-tolyl)-4H-1,2,4-triazol-4-yl)imino)methyl)benzoate|ME 4-(((3-MERCAPTO-5-(2-METHYLPHENYL)-4H-1,2,4-TRIAZOL-4-YL)IMINO)ME)BENZOATE|methyl 4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate|methyl 4-[(E)-{[3-(2-methylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
| Molecular Formula | C18H16N4O2S |
|---|---|
| Molecular Weight | 352.0994 g/mol |
| LogP | 3.58491 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.0994 |
| Monoisotopic Mass | 352.0994 |
| Heavy Atoms | 25 |
| Complexity | 986.8107 |
Chemical Identifiers
| CAS Number | 488103-67-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(=O)OC |
Product Overview
AC1OBSG3 (CAS 488103-67-9), with molecular formula C18H16N4O2S and molecular weight 352.0994 g/mol. IUPAC: methyl 4-[(E)-[3-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate.
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