2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C29H27N5O2S MolecularWeight: 509.62198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(N(N=C4C)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(N(N=C4C)C5=CC=CC=C5)C)C

InChI

InChI=1S/C29H27N5O2S/c1-18-11-10-16-25(19(18)2)33-28(36)23-14-8-9-15-24(23)30-29(33)37-17-26(35)31-27-20(3)32-34(21(27)4)22-12-6-5-7-13-22/h5-16H,17H2,1-4H3,(H,31,35)