2-(4-phenylpiperazin-1-yl)-N-[[1-phenyl-5-[4-(sulfanylmethyl)phenyl]pyrazol-3-yl]methyl]ethanamide

Systemtic Name: 2-(4-phenylpiperazin-1-yl)-N-[[1-phenyl-5-[4-(sulfanylmethyl)phenyl]pyrazol-3-yl]methyl]ethanamide Openeye Name: 2-(4-phenylpiperazin-1-yl)-N-[[1-phenyl-5-[4-(sulfanylmethyl)phenyl]pyrazol-3-yl]methyl]acetamide CAS Name: N-[[5-[4-(mercaptomethyl)phenyl]-1-phenyl-3-pyrazolyl]methyl]-2-(4-phenyl-1-piperazinyl)acetamide IUPAC Name: 2-(4-phenylpiperazin-1-yl)-N-[[1-phenyl-5-[4-(sulfanylmethyl)phenyl]pyrazol-3-yl]methyl]acetamide Traditional Name: N-[[5-[4-(mercaptomethyl)phenyl]-1-phenyl-pyrazol-3-yl]methyl]-2-(4-phenylpiperazino)acetamide Formula: C29H31N5OS MolecularWeight: 497.65434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=NN(C(=C2)C3=CC=C(C=C3)CS)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=NN(C(=C2)C3=CC=C(C=C3)CS)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5OS/c35-29(21-32-15-17-33(18-16-32)26-7-3-1-4-8-26)30-20-25-19-28(24-13-11-23(22-36)12-14-24)34(31-25)27-9-5-2-6-10-27/h1-14,19,36H,15-18,20-22H2,(H,30,35)