AC1MUP0P
N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide
Also Known As: Oprea1_235088|SR-01000442454-1|F0475-0253|N-((4-(3,4-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-3,4-dimethoxybenzamide|N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethoxybenzamide|N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide|N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide
| Molecular Formula | C18H16Cl2N4O3S |
|---|---|
| Molecular Weight | 438.032 g/mol |
| LogP | 4.18389 |
| Topological Polar Surface Area | 81.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.032 |
| Monoisotopic Mass | 438.032 |
| Heavy Atoms | 28 |
| Complexity | 1080.933 |
Chemical Identifiers
| CAS Number | 391887-56-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NCC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)Cl)OC |
Product Overview
AC1MUP0P (CAS 391887-56-2), with molecular formula C18H16Cl2N4O3S and molecular weight 438.032 g/mol. IUPAC: N-[[4-(3,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide.
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