2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(1,3-diphenyl-4-pyrazolyl)methylthio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methylthio]-1-pyrrolidino-ethanone Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS/c26-21(24-13-7-8-14-24)17-27-16-19-15-25(20-11-5-2-6-12-20)23-22(19)18-9-3-1-4-10-18/h1-6,9-12,15H,7-8,13-14,16-17H2