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

Systemtic Name: 5-methyl-4-[[1-[2-oxidanyl-3-[(2-sulfanylphenyl)amino]propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[2-hydroxy-3-(2-sulfanylanilino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[2-hydroxy-3-(2-mercaptoanilino)propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[2-hydroxy-3-(2-sulfanylanilino)propyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[2-hydroxy-3-(2-mercaptoanilino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNC4=CC=CC=C4S)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNC4=CC=CC=C4S)O)C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O2S/c1-19-24(28(34)32(30-19)21-9-3-2-4-10-21)15-20-17-31(26-13-7-5-11-23(20)26)18-22(33)16-29-25-12-6-8-14-27(25)35/h2-15,17,22,29,33,35H,16,18H2,1H3