2-[3-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[3-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide Openeye Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[4-oxo-3-(p-tolylsulfonylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-[(4-methylphenyl)sulfonylamino]-4-oxo-2-quinazolinyl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide IUPAC Name: 2-[3-[(4-methylphenyl)sulfonylamino]-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide Traditional Name: 2-[[4-keto-3-(tosylamino)quinazolin-2-yl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C21H20N6O4S2 MolecularWeight: 484.5513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NNC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NNC(=C4)C

InChI

InChI=1S/C21H20N6O4S2/c1-13-7-9-15(10-8-13)33(30,31)26-27-20(29)16-5-3-4-6-17(16)22-21(27)32-12-19(28)23-18-11-14(2)24-25-18/h3-11,26H,12H2,1-2H3,(H2,23,24,25,28)