2-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[3-(2-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[3-(2-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[3-(2-ethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-propargyl-acetamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC#C

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC#C

InChI

InChI=1S/C21H19N3O2S/c1-3-13-22-19(25)14-27-21-23-17-11-7-6-10-16(17)20(26)24(21)18-12-8-5-9-15(18)4-2/h1,5-12H,4,13-14H2,2H3,(H,22,25)