3-(pyrazol-1-ylmethyl)benzenecarbothioamide

Systemtic Name: 3-(pyrazol-1-ylmethyl)benzenecarbothioamide Openeye Name: 3-(pyrazol-1-ylmethyl)benzenecarbothioamide CAS Name: 3-(1-pyrazolylmethyl)benzenecarbothioamide IUPAC Name: 3-(pyrazol-1-ylmethyl)benzenecarbothioamide Traditional Name: 3-(pyrazol-1-ylmethyl)thiobenzamide Formula: C11H11N3S MolecularWeight: 217.29014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=CC=N2)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=CC=N2)C(=S)N

InChI

InChI=1S/C11H11N3S/c12-11(15)10-4-1-3-9(7-10)8-14-6-2-5-13-14/h1-7H,8H2,(H2,12,15)