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

Systemtic Name: 3-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 3-[4-oxo-3-(p-tolyl)quinazolin-2-yl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide CAS Name: 3-[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]-5-phenyl-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 5-[4-keto-3-(p-tolyl)quinazolin-2-yl]-3-phenyl-2-pyrazoline-1-carbothioamide Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4CC(=NN4C(=S)N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4CC(=NN4C(=S)N)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5OS/c1-16-11-13-18(14-12-16)29-23(27-20-10-6-5-9-19(20)24(29)31)22-15-21(28-30(22)25(26)32)17-7-3-2-4-8-17/h2-14,22H,15H2,1H3,(H2,26,32)