2,5-diphenyl-4-(3-sulfanylpropyl)-4H-pyrazol-3-one

Systemtic Name: 2,5-diphenyl-4-(3-sulfanylpropyl)-4H-pyrazol-3-one Openeye Name: 2,5-diphenyl-4-(3-sulfanylpropyl)-4H-pyrazol-3-one CAS Name: 4-(3-mercaptopropyl)-2,5-diphenyl-4H-pyrazol-3-one IUPAC Name: 2,5-diphenyl-4-(3-sulfanylpropyl)-4H-pyrazol-3-one Traditional Name: 4-(3-mercaptopropyl)-2,5-diphenyl-2-pyrazolin-3-one Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2CCCS)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2CCCS)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2OS/c21-18-16(12-7-13-22)17(14-8-3-1-4-9-14)19-20(18)15-10-5-2-6-11-15/h1-6,8-11,16,22H,7,12-13H2