5-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dimethyl-benzenethiol

Systemtic Name: 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dimethyl-benzenethiol Openeye Name: 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dimethyl-benzenethiol CAS Name: 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dimethylbenzenethiol IUPAC Name: 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dimethylbenzenethiol Traditional Name: 5-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dimethyl-benzenethiol Formula: C13H16N2S MolecularWeight: 232.34454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NNC(=C2C)C)S)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NNC(=C2C)C)S)C

InChI

InChI=1S/C13H16N2S/c1-7-5-8(2)12(16)6-11(7)13-9(3)10(4)14-15-13/h5-6,16H,1-4H3,(H,14,15)