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

Systemtic Name: N-butan-2-yl-2-[3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-oxo-quinazolin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)quinazolin-2-yl]thio]-N-sec-butyl-acetamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H27N5O3S/c1-5-16(2)26-21(31)15-34-25-27-20-14-10-9-13-19(20)23(32)29(25)22-17(3)28(4)30(24(22)33)18-11-7-6-8-12-18/h6-14,16H,5,15H2,1-4H3,(H,26,31)