3-(1-ethanoylpiperidin-4-yl)-4-[(2-methylsulfanylphenyl)diazenyl]-1,4-dihydropyrazol-5-one

Systemtic Name: 3-(1-ethanoylpiperidin-4-yl)-4-[(2-methylsulfanylphenyl)diazenyl]-1,4-dihydropyrazol-5-one Openeye Name: 3-(1-acetyl-4-piperidyl)-4-(2-methylsulfanylphenyl)azo-1,4-dihydropyrazol-5-one CAS Name: 3-(1-acetyl-4-piperidinyl)-4-[2-(methylthio)phenyl]azo-1,4-dihydropyrazol-5-one IUPAC Name: 3-(1-acetylpiperidin-4-yl)-4-[(2-methylsulfanylphenyl)diazenyl]-1,4-dihydropyrazol-5-one Traditional Name: 5-(1-acetyl-4-piperidyl)-4-[2-(methylthio)phenyl]azo-2-pyrazolin-3-one Formula: C17H21N5O2S MolecularWeight: 359.44594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C2=NNC(=O)C2N=NC3=CC=CC=C3SC

Isomeric SMILES

CC(=O)N1CCC(CC1)C2=NNC(=O)C2N=NC3=CC=CC=C3SC

InChI

InChI=1S/C17H21N5O2S/c1-11(23)22-9-7-12(8-10-22)15-16(17(24)21-19-15)20-18-13-5-3-4-6-14(13)25-2/h3-6,12,16H,7-10H2,1-2H3,(H,21,24)