2-[2-[(4-cyanophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[2-[(4-cyanophenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[2-[(4-cyanophenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[2-[(4-cyanophenyl)methylthio]-4-oxo-3-quinazolinyl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[2-[(4-cyanophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[2-[(4-cyanobenzyl)thio]-4-keto-quinazolin-3-yl]ethyl-diisopropyl-ammonium Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C#N)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C#N)C(C)C

InChI

InChI=1S/C24H28N4OS/c1-17(2)27(18(3)4)13-14-28-23(29)21-7-5-6-8-22(21)26-24(28)30-16-20-11-9-19(15-25)10-12-20/h5-12,17-18H,13-14,16H2,1-4H3/p+1