2-[4-[[1-methyl-5-(2-oxidanylidene-2-thiomorpholin-4-yl-ethoxy)-3-propyl-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[1-methyl-5-(2-oxidanylidene-2-thiomorpholin-4-yl-ethoxy)-3-propyl-pyrazol-4-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[1-methyl-5-(2-oxo-2-thiomorpholino-ethoxy)-3-propyl-pyrazol-4-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[1-methyl-5-(2-oxo-2-thiomorpholin-4-ylethoxy)-3-propyl-4-pyrazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[1-methyl-5-(2-oxo-2-thiomorpholin-4-ylethoxy)-3-propylpyrazol-4-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[5-(2-keto-2-thiomorpholino-ethoxy)-1-methyl-3-propyl-pyrazol-4-yl]methyl]phenyl]benzonitrile Formula: C27H30N4O2S MolecularWeight: 474.6177

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)OCC(=O)N4CCSCC4)C

Isomeric SMILES

CCCC1=NN(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)OCC(=O)N4CCSCC4)C

InChI

InChI=1S/C27H30N4O2S/c1-3-6-25-24(27(30(2)29-25)33-19-26(32)31-13-15-34-16-14-31)17-20-9-11-21(12-10-20)23-8-5-4-7-22(23)18-28/h4-5,7-12H,3,6,13-17,19H2,1-2H3