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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)azocane-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)azocane-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-azocanecarbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)azocane-1-carbothioamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)azocane-1-carbothioamide Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCCCCCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCCCCCC3

InChI

InChI=1S/C19H26N4OS/c1-15-17(20-19(25)22-13-9-4-3-5-10-14-22)18(24)23(21(15)2)16-11-7-6-8-12-16/h6-8,11-12H,3-5,9-10,13-14H2,1-2H3,(H,20,25)