[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanethione

Systemtic Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanethione Openeye Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanethione CAS Name: [3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-(2,6-dimethyl-4-morpholinyl)methanethione IUPAC Name: [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanethione Traditional Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-(2,6-dimethylmorpholino)methanethione Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=S)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CC(O1)C)C(=S)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3OS/c1-15-12-25(13-16(2)27-15)22(28)20-14-26(19-6-4-3-5-7-19)24-21(20)17-8-10-18(23)11-9-17/h3-11,14-16H,12-13H2,1-2H3