N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azepane-1-carbothioamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azepane-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)azepane-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-azepanecarbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azepane-1-carbothioamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)azepane-1-carbothioamide Formula: C18H24N4OS MolecularWeight: 344.47436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCCCCC3

InChI

InChI=1S/C18H24N4OS/c1-14-16(19-18(24)21-12-8-3-4-9-13-21)17(23)22(20(14)2)15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3,(H,19,24)