N-[(2S)-2-cyano-2-(4-oxidanylidene-1H-quinazolin-2-yl)-1-phenyl-ethylidene]thiophene-2-sulfonamide

Systemtic Name: N-[(2S)-2-cyano-2-(4-oxidanylidene-1H-quinazolin-2-yl)-1-phenyl-ethylidene]thiophene-2-sulfonamide Openeye Name: N-[(2S)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)-1-phenyl-ethylidene]thiophene-2-sulfonamide CAS Name: N-[(2S)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)-1-phenylethylidene]-2-thiophenesulfonamide IUPAC Name: N-[(2S)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)-1-phenylethylidene]thiophene-2-sulfonamide Traditional Name: N-[(2S)-2-cyano-2-(4-keto-1H-quinazolin-2-yl)-1-phenyl-ethylidene]thiophene-2-sulfonamide Formula: C21H14N4O3S2 MolecularWeight: 434.49086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CS2)C(C#N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)C(=NS(=O)(=O)C2=CC=CS2)[C@@H](C#N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H14N4O3S2/c22-13-16(20-23-17-10-5-4-9-15(17)21(26)24-20)19(14-7-2-1-3-8-14)25-30(27,28)18-11-6-12-29-18/h1-12,16H,(H,23,24,26)/t16-/m1/s1