5-(4-methylphenyl)-3-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 5-(4-methylphenyl)-3-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(4-benzyloxyphenyl)-5-(p-tolyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-methylphenyl)-3-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-methylphenyl)-3-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(4-benzoxyphenyl)-3-(p-tolyl)-2-pyrazoline-1-carbothioamide Formula: C24H23N3OS MolecularWeight: 401.52392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=S)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=S)N

InChI

InChI=1S/C24H23N3OS/c1-17-7-9-19(10-8-17)22-15-23(27(26-22)24(25)29)20-11-13-21(14-12-20)28-16-18-5-3-2-4-6-18/h2-14,23H,15-16H2,1H3,(H2,25,29)