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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1CC(=O)N2CCSCC2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCC1=C(C(=O)N(N1CC(=O)N2CCSCC2)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H30N4O2S/c1-3-6-25-24(27(33)29(2)31(25)19-26(32)30-13-15-34-16-14-30)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