2-ethyl-N-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-ethyl-N-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-ethyl-N-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]pyrazole-3-carboxamide CAS Name: 2-ethyl-N-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-N-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-ethyl-N-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)phenyl]pyrazole-3-carboxamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(=O)NC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CCN1C(=CC=N1)C(=O)NC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C20H17N5O2S/c1-2-24-17(10-11-21-24)18(26)22-13-6-5-7-14(12-13)25-19(27)15-8-3-4-9-16(15)23-20(25)28/h3-12H,2H2,1H3,(H,22,26)(H,23,28)