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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[[4-keto-3-(m-tolyl)quinazolin-2-yl]thio]acetamide Formula: C28H25N5O3S MolecularWeight: 511.5948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C28H25N5O3S/c1-18-10-9-13-21(16-18)32-26(35)22-14-7-8-15-23(22)29-28(32)37-17-24(34)30-25-19(2)31(3)33(27(25)36)20-11-5-4-6-12-20/h4-16H,17H2,1-3H3,(H,30,34)