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

Systemtic Name: diethyl-[2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]azanium Openeye Name: diethyl-[2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanylethyl]ammonium CAS Name: diethyl-[2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]ethyl]ammonium IUPAC Name: diethyl-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]azanium Traditional Name: diethyl-[2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]ethyl]ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C

InChI

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