N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]propionamide Formula: C31H31N5O3S MolecularWeight: 553.67454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5C(C)C

InChI

InChI=1S/C31H31N5O3S/c1-19(2)23-15-10-12-18-26(23)35-29(38)24-16-9-11-17-25(24)32-31(35)40-21(4)28(37)33-27-20(3)34(5)36(30(27)39)22-13-7-6-8-14-22/h6-19,21H,1-5H3,(H,33,37)