1-[3-methylsulfanyl-5-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone

Systemtic Name: 1-[3-methylsulfanyl-5-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone Openeye Name: 1-[3-methylsulfanyl-5-[(E)-styryl]pyrazol-1-yl]ethanone CAS Name: 1-[3-(methylthio)-5-[(E)-2-phenylethenyl]-1-pyrazolyl]ethanone IUPAC Name: 1-[3-methylsulfanyl-5-[(E)-2-phenylethenyl]pyrazol-1-yl]ethanone Traditional Name: 1-[3-(methylthio)-5-[(E)-styryl]pyrazol-1-yl]ethanone Formula: C14H14N2OS MolecularWeight: 258.33876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=CC(=N1)SC)C=CC2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C(=CC(=N1)SC)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C14H14N2OS/c1-11(17)16-13(10-14(15-16)18-2)9-8-12-6-4-3-5-7-12/h3-10H,1-2H3/b9-8+