5-methyl-4-[[1-[2-oxidanyl-3-(2-sulfanylethylamino)propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: 5-methyl-4-[[1-[2-oxidanyl-3-(2-sulfanylethylamino)propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[2-hydroxy-3-(2-sulfanylethylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[2-hydroxy-3-(2-mercaptoethylamino)propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[2-hydroxy-3-(2-sulfanylethylamino)propyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[2-hydroxy-3-(2-mercaptoethylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C24H26N4O2S MolecularWeight: 434.55384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCCS)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNCCS)O)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-17-22(24(30)28(26-17)19-7-3-2-4-8-19)13-18-15-27(16-20(29)14-25-11-12-31)23-10-6-5-9-21(18)23/h2-10,13,15,20,25,29,31H,11-12,14,16H2,1H3