N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C22H21N5O2S/c1-14-20(22(29)27(26(14)3)16-9-5-4-6-10-16)25-19(28)13-30-21-17-11-7-8-12-18(17)23-15(2)24-21/h4-12H,13H2,1-3H3,(H,25,28)