(5S)-5-oxidanyl-3,5-diphenyl-4H-pyrazole-1-carbothioamide

Systemtic Name: (5S)-5-oxidanyl-3,5-diphenyl-4H-pyrazole-1-carbothioamide Openeye Name: (5S)-5-hydroxy-3,5-diphenyl-4H-pyrazole-1-carbothioamide CAS Name: (5S)-5-hydroxy-3,5-diphenyl-4H-pyrazole-1-carbothioamide IUPAC Name: (5S)-5-hydroxy-3,5-diphenyl-4H-pyrazole-1-carbothioamide Traditional Name: (5S)-5-hydroxy-3,5-diphenyl-2-pyrazoline-1-carbothioamide Formula: C16H15N3OS MolecularWeight: 297.3748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1(C2=CC=CC=C2)O)C(=S)N)C3=CC=CC=C3

Isomeric SMILES

C1C(=NN([C@]1(C2=CC=CC=C2)O)C(=S)N)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS/c17-15(21)19-16(20,13-9-5-2-6-10-13)11-14(18-19)12-7-3-1-4-8-12/h1-10,20H,11H2,(H2,17,21)/t16-/m0/s1