3-ethyl-4-oxidanylidene-N-(3-phenylprop-2-ynyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-4-oxidanylidene-N-(3-phenylprop-2-ynyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-4-oxo-N-(3-phenylprop-2-ynyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-4-oxo-N-(3-phenylprop-2-ynyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-4-oxo-N-(3-phenylprop-2-ynyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-(3-phenylprop-2-ynyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC#CC3=CC=CC=C3)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC#CC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C20H17N3O2S/c1-2-23-19(25)16-11-10-15(13-17(16)22-20(23)26)18(24)21-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,2,12H2,1H3,(H,21,24)(H,22,26)