3-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]propyl-diethyl-azanium Openeye Name: 3-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]propyl-diethyl-ammonium CAS Name: 3-[2-[(2-cyanophenyl)methylthio]-4-oxo-3-quinazolinyl]propyl-diethylammonium IUPAC Name: 3-[2-[(2-cyanophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]propyl-diethylazanium Traditional Name: 3-[2-[(2-cyanobenzyl)thio]-4-keto-quinazolin-3-yl]propyl-diethyl-ammonium Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

CC[NH+](CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

InChI

InChI=1S/C23H26N4OS/c1-3-26(4-2)14-9-15-27-22(28)20-12-7-8-13-21(20)25-23(27)29-17-19-11-6-5-10-18(19)16-24/h5-8,10-13H,3-4,9,14-15,17H2,1-2H3/p+1