3,5-dimethyl-4-(2-oxidanyl-2,2-diphenyl-ethyl)pyrazole-1-carbothioamide

Systemtic Name: 3,5-dimethyl-4-(2-oxidanyl-2,2-diphenyl-ethyl)pyrazole-1-carbothioamide Openeye Name: 4-(2-hydroxy-2,2-diphenyl-ethyl)-3,5-dimethyl-pyrazole-1-carbothioamide CAS Name: 4-(2-hydroxy-2,2-diphenylethyl)-3,5-dimethyl-1-pyrazolecarbothioamide IUPAC Name: 4-(2-hydroxy-2,2-diphenylethyl)-3,5-dimethylpyrazole-1-carbothioamide Traditional Name: 4-(2-hydroxy-2,2-diphenyl-ethyl)-3,5-dimethyl-pyrazole-1-carbothioamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=S)N)C)CC(C2=CC=CC=C2)(C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C(=NN1C(=S)N)C)CC(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C20H21N3OS/c1-14-18(15(2)23(22-14)19(21)25)13-20(24,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,24H,13H2,1-2H3,(H2,21,25)