(3S)-5-(4-methoxyphenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: (3S)-5-(4-methoxyphenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: (3S)-5-(4-methoxyphenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: (3S)-5-(4-methoxyphenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: (3S)-5-(4-methoxyphenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: (5S)-3-(4-methoxyphenyl)-N,5-diphenyl-2-pyrazoline-1-carbothioamide Formula: C23H21N3OS MolecularWeight: 387.49734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC=CC=C3)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H21N3OS/c1-27-20-14-12-17(13-15-20)21-16-22(18-8-4-2-5-9-18)26(25-21)23(28)24-19-10-6-3-7-11-19/h2-15,22H,16H2,1H3,(H,24,28)/t22-/m0/s1