2-[4-(pyrazol-1-ylmethyl)phenyl]benzenecarbothioamide

Systemtic Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]benzenecarbothioamide Openeye Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]benzenecarbothioamide CAS Name: 2-[4-(1-pyrazolylmethyl)phenyl]benzenecarbothioamide IUPAC Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]benzenecarbothioamide Traditional Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]thiobenzamide Formula: C17H15N3S MolecularWeight: 293.3861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=CC=N3)C(=S)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CN3C=CC=N3)C(=S)N

InChI

InChI=1S/C17H15N3S/c18-17(21)16-5-2-1-4-15(16)14-8-6-13(7-9-14)12-20-11-3-10-19-20/h1-11H,12H2,(H2,18,21)