1-[(1-methylpyrazol-4-yl)methyl]-4-(2-methylsulfanylethanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(2-methylsulfanylethanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(2-methylsulfanylacetyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-[2-(methylthio)-1-oxoethyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-(2-methylsulfanylacetyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(methylthio)acetyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)CSC)OCC3=CN=CC=C3

Isomeric SMILES

CN1C=C(C=N1)CN2CC(CN(CC2=O)C(=O)CSC)OCC3=CN=CC=C3

InChI

InChI=1S/C19H25N5O3S/c1-22-8-16(7-21-22)9-23-10-17(27-13-15-4-3-5-20-6-15)11-24(12-18(23)25)19(26)14-28-2/h3-8,17H,9-14H2,1-2H3