2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethyl-diethyl-methyl-azanium

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethyl-diethyl-methyl-azanium Openeye Name: 2-(7-chloro-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylethyl-diethyl-methyl-ammonium CAS Name: 2-[(7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl-diethyl-methylammonium IUPAC Name: 2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl-diethyl-methylazanium Traditional Name: 2-[(7-chloro-4-keto-3-phenyl-quinazolin-2-yl)thio]ethyl-diethyl-methyl-ammonium Formula: C21H25ClN3OS+ MolecularWeight: 402.9607

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CC[N+](C)(CC)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C21H25ClN3OS/c1-4-25(3,5-2)13-14-27-21-23-19-15-16(22)11-12-18(19)20(26)24(21)17-9-7-6-8-10-17/h6-12,15H,4-5,13-14H2,1-3H3/q+1