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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NN=C(N2C)CCC(=O)N

InChI

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