3,5,5-trimethyl-N-phenyl-4H-pyrazole-1-carbothioamide

Systemtic Name: 3,5,5-trimethyl-N-phenyl-4H-pyrazole-1-carbothioamide Openeye Name: 3,5,5-trimethyl-N-phenyl-4H-pyrazole-1-carbothioamide CAS Name: 3,5,5-trimethyl-N-phenyl-4H-pyrazole-1-carbothioamide IUPAC Name: 3,5,5-trimethyl-N-phenyl-4H-pyrazole-1-carbothioamide Traditional Name: 3,5,5-trimethyl-N-phenyl-2-pyrazoline-1-carbothioamide Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)C)C(=S)NC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(C1)(C)C)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C13H17N3S/c1-10-9-13(2,3)16(15-10)12(17)14-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,14,17)