diethyl-[2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]azanium chloride

Systemtic Name: diethyl-[2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]azanium chloride Openeye Name: diethyl-[2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanylethyl]ammonium chloride CAS Name: diethyl-[2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]ethyl]ammonium chloride IUPAC Name: diethyl-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]azanium chloride Traditional Name: diethyl-[2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]ethyl]ammonium chloride Formula: C21H26ClN3OS MolecularWeight: 403.96864

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C.[Cl-]

InChI

InChI=1S/C21H25N3OS.ClH/c1-4-23(5-2)14-15-26-21-22-18-12-8-7-11-17(18)20(25)24(21)19-13-9-6-10-16(19)3;/h6-13H,4-5,14-15H2,1-3H3;1H