4-(2-azanylethyl)-5-(2-methylsulfanylphenyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-(2-azanylethyl)-5-(2-methylsulfanylphenyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-(2-aminoethyl)-5-(2-methylsulfanylphenyl)-1,2-dihydropyrazol-3-one CAS Name: 4-(2-aminoethyl)-5-[2-(methylthio)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 4-(2-aminoethyl)-5-(2-methylsulfanylphenyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(2-aminoethyl)-5-[2-(methylthio)phenyl]-3-pyrazolin-3-one Formula: C12H15N3OS MolecularWeight: 249.332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C(C(=O)NN2)CCN

Isomeric SMILES

CSC1=CC=CC=C1C2=C(C(=O)NN2)CCN

InChI

InChI=1S/C12H15N3OS/c1-17-10-5-3-2-4-8(10)11-9(6-7-13)12(16)15-14-11/h2-5H,6-7,13H2,1H3,(H2,14,15,16)