1-(5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazol-4-yl)ethanone

Systemtic Name: 1-(5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazol-4-yl)ethanone Openeye Name: 1-(5-methyl-2-phenyl-3-thioxo-1H-pyrazol-4-yl)ethanone CAS Name: 1-(5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazol-4-yl)ethanone IUPAC Name: 1-(5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazol-4-yl)ethanone Traditional Name: 1-(3-methyl-1-phenyl-5-thioxo-3-pyrazolin-4-yl)ethanone Formula: C12H12N2OS MolecularWeight: 232.30148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N(N1)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CC1=C(C(=S)N(N1)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C12H12N2OS/c1-8-11(9(2)15)12(16)14(13-8)10-6-4-3-5-7-10/h3-7,13H,1-2H3