1-(3,4-dichlorophenyl)-2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(3,4-dichlorophenyl)-2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(3,4-dichlorophenyl)-2-[4-(2-furylmethylamino)quinazolin-2-yl]sulfanyl-ethanone CAS Name: 1-(3,4-dichlorophenyl)-2-[[4-(2-furanylmethylamino)-2-quinazolinyl]thio]ethanone IUPAC Name: 1-(3,4-dichlorophenyl)-2-[4-(furan-2-ylmethylamino)quinazolin-2-yl]sulfanylethanone Traditional Name: 1-(3,4-dichlorophenyl)-2-[[4-(2-furfurylamino)quinazolin-2-yl]thio]ethanone Formula: C21H15Cl2N3O2S MolecularWeight: 444.3337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)C3=CC(=C(C=C3)Cl)Cl)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCC(=O)C3=CC(=C(C=C3)Cl)Cl)NCC4=CC=CO4

InChI

InChI=1S/C21H15Cl2N3O2S/c22-16-8-7-13(10-17(16)23)19(27)12-29-21-25-18-6-2-1-5-15(18)20(26-21)24-11-14-4-3-9-28-14/h1-10H,11-12H2,(H,24,25,26)