N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)NC1=S

InChI

InChI=1S/C22H21N5O3S/c1-4-26-20(29)16-11-10-14(12-17(16)23-22(26)31)19(28)24-18-13(2)25(3)27(21(18)30)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3,(H,23,31)(H,24,28)