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

Systemtic Name: 2-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[[3-[2-(2,4-dichlorophenyl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-propargyl-acetamide Formula: C21H17Cl2N3O2S MolecularWeight: 446.34958

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C#CCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H17Cl2N3O2S/c1-2-10-24-19(27)13-29-21-25-18-6-4-3-5-16(18)20(28)26(21)11-9-14-7-8-15(22)12-17(14)23/h1,3-8,12H,9-11,13H2,(H,24,27)