N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[2-phenyl-5-(2,4,5-trimethylphenyl)-3-pyrazolyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]-2-(quinazolin-4-ylthio)acetamide Formula: C28H25N5OS MolecularWeight: 479.596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=NN(C(=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43)C5=CC=CC=C5)C)C

InChI

InChI=1S/C28H25N5OS/c1-18-13-20(3)23(14-19(18)2)25-15-26(33(32-25)21-9-5-4-6-10-21)31-27(34)16-35-28-22-11-7-8-12-24(22)29-17-30-28/h4-15,17H,16H2,1-3H3,(H,31,34)