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

Systemtic Name: 5-(4-bromophenyl)-3-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-(4-benzyloxyphenyl)-5-(4-bromophenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 5-(4-bromophenyl)-3-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 5-(4-bromophenyl)-3-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-(4-benzoxyphenyl)-3-(4-bromophenyl)-2-pyrazoline-1-carbothioamide Formula: C23H20BrN3OS MolecularWeight: 466.3934

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=S)N)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=S)N)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H20BrN3OS/c24-19-10-6-17(7-11-19)21-14-22(27(26-21)23(25)29)18-8-12-20(13-9-18)28-15-16-4-2-1-3-5-16/h1-13,22H,14-15H2,(H2,25,29)