3-[5-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[5-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(5-acetyl-2-methoxyphenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(5-acetyl-2-methoxy-benzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]propionamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC)CCC(=O)N

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC)CCC(=O)N

InChI

InChI=1S/C17H22N4O3S/c1-4-21-16(8-7-15(18)23)19-20-17(21)25-10-13-9-12(11(2)22)5-6-14(13)24-3/h5-6,9H,4,7-8,10H2,1-3H3,(H2,18,23)