2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]-1-piperidino-ethanone Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C21H24N4OS/c26-20(23-11-5-2-6-12-23)17-27-16-18-15-22-25(19-9-3-1-4-10-19)21(18)24-13-7-8-14-24/h1,3-4,7-10,13-15H,2,5-6,11-12,16-17H2