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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]ethanone Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C27H29N5OS/c33-26(30-17-15-29(16-18-30)20-23-9-3-1-4-10-23)22-34-21-24-19-28-32(25-11-5-2-6-12-25)27(24)31-13-7-8-14-31/h1-14,19H,15-18,20-22H2