3-phenyl-4-(3-sulfanylpropyl)-1,4-dihydropyrazol-5-one

Systemtic Name: 3-phenyl-4-(3-sulfanylpropyl)-1,4-dihydropyrazol-5-one Openeye Name: 3-phenyl-4-(3-sulfanylpropyl)-1,4-dihydropyrazol-5-one CAS Name: 4-(3-mercaptopropyl)-3-phenyl-1,4-dihydropyrazol-5-one IUPAC Name: 3-phenyl-4-(3-sulfanylpropyl)-1,4-dihydropyrazol-5-one Traditional Name: 4-(3-mercaptopropyl)-5-phenyl-2-pyrazolin-3-one Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=O)C2CCCS

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=O)C2CCCS

InChI

InChI=1S/C12H14N2OS/c15-12-10(7-4-8-16)11(13-14-12)9-5-2-1-3-6-9/h1-3,5-6,10,16H,4,7-8H2,(H,14,15)