5-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-4-ethyl-thiolan-2-one

Systemtic Name: 5-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-4-ethyl-thiolan-2-one Openeye Name: 5-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-4-ethyl-tetrahydrothiophen-2-one CAS Name: 5-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-4-ethyl-2-thiolanone IUPAC Name: 5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-4-ethylthiolan-2-one Traditional Name: 5-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-4-ethyl-tetrahydrothiophen-2-one Formula: C21H19ClN2OS MolecularWeight: 382.90636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)SC1C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCC1CC(=O)SC1C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H19ClN2OS/c1-2-14-12-19(25)26-21(14)18-13-24(17-6-4-3-5-7-17)23-20(18)15-8-10-16(22)11-9-15/h3-11,13-14,21H,2,12H2,1H3