4-[(3,5-dimethylpyrazol-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzenecarbothioamide Openeye Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzenecarbothioamide CAS Name: 4-[(3,5-dimethyl-1-pyrazolyl)methyl]benzenecarbothioamide IUPAC Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]benzenecarbothioamide Traditional Name: 4-[(3,5-dimethylpyrazol-1-yl)methyl]thiobenzamide Formula: C13H15N3S MolecularWeight: 245.3433

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)C(=S)N)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)C(=S)N)C

InChI

InChI=1S/C13H15N3S/c1-9-7-10(2)16(15-9)8-11-3-5-12(6-4-11)13(14)17/h3-7H,8H2,1-2H3,(H2,14,17)