3-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 3-[3-(4-bromophenyl)-4-oxidanylidene-quinazolin-2-yl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-[3-(4-bromophenyl)-4-oxo-quinazolin-2-yl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-[3-(4-bromophenyl)-4-oxo-2-quinazolinyl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-[3-(4-bromophenyl)-4-keto-quinazolin-2-yl]-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C24H18BrN5OS MolecularWeight: 504.40162

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=S)N)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Br

Isomeric SMILES

C1C(N(N=C1C2=CC=CC=C2)C(=S)N)C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H18BrN5OS/c25-16-10-12-17(13-11-16)29-22(27-19-9-5-4-8-18(19)23(29)31)21-14-20(28-30(21)24(26)32)15-6-2-1-3-7-15/h1-13,21H,14H2,(H2,26,32)