(3S,4S)-3-cyano-5,5-dimethyl-4-(4-methylphenyl)-4H-pyrazole-3-carbothioamide

Systemtic Name: (3S,4S)-3-cyano-5,5-dimethyl-4-(4-methylphenyl)-4H-pyrazole-3-carbothioamide Openeye Name: (3S,4S)-3-cyano-5,5-dimethyl-4-(p-tolyl)-4H-pyrazole-3-carbothioamide CAS Name: (3S,4S)-3-cyano-5,5-dimethyl-4-(4-methylphenyl)-4H-pyrazole-3-carbothioamide IUPAC Name: (3S,4S)-3-cyano-5,5-dimethyl-4-(4-methylphenyl)-4H-pyrazole-3-carbothioamide Traditional Name: (3S,4S)-3-cyano-5,5-dimethyl-4-(p-tolyl)-1-pyrazoline-3-carbothioamide Formula: C14H16N4S MolecularWeight: 272.36864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(N=NC2(C#N)C(=S)N)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@](N=NC2(C)C)(C#N)C(=S)N

InChI

InChI=1S/C14H16N4S/c1-9-4-6-10(7-5-9)11-13(2,3)17-18-14(11,8-15)12(16)19/h4-7,11H,1-3H3,(H2,16,19)/t11-,14+/m0/s1