AC1NE6XR
N-(3-methylphenyl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-({4-allyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide|2-((4-Allyl-5-((phenylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide|2-((4-ALLYL-5-((PHENYLSULFANYL)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE|644-850-6|N-(3-methylphenyl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide|N-(3-methylphenyl)-2-[5-(phenylthiomethyl)-4-prop-2-enyl(1,2,4-triazol-3-ylthi o)]acetamide
| Molecular Formula | C21H22N4OS2 |
|---|---|
| Molecular Weight | 410.1235 g/mol |
| LogP | 4.79562 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.1235 |
| Monoisotopic Mass | 410.1235 |
| Heavy Atoms | 28 |
| Complexity | 940.58844 |
Chemical Identifiers
| CAS Number | 538337-39-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)CSC3=CC=CC=C3 |
Product Overview
AC1NE6XR (CAS 538337-39-2), with molecular formula C21H22N4OS2 and molecular weight 410.1235 g/mol. IUPAC: N-(3-methylphenyl)-2-[[5-(phenylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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