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

Systemtic Name: 5-methyl-4-[[1-[2-oxidanyl-3-(1,3-thiazol-2-ylamino)propyl]indol-3-yl]methylidene]-2-phenyl-pyrazol-3-one Openeye Name: 4-[[1-[2-hydroxy-3-(thiazol-2-ylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[1-[2-hydroxy-3-(2-thiazolylamino)propyl]-3-indolyl]methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[1-[2-hydroxy-3-(1,3-thiazol-2-ylamino)propyl]indol-3-yl]methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[[1-[2-hydroxy-3-(thiazol-2-ylamino)propyl]indol-3-yl]methylene]-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNC4=NC=CS4)O)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CNC4=NC=CS4)O)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O2S/c1-17-22(24(32)30(28-17)19-7-3-2-4-8-19)13-18-15-29(23-10-6-5-9-21(18)23)16-20(31)14-27-25-26-11-12-33-25/h2-13,15,20,31H,14,16H2,1H3,(H,26,27)