3-(2,6-dimethylphenyl)-2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(2,6-dimethylphenyl)-2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,6-dimethylphenyl)-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one CAS Name: 3-(2,6-dimethylphenyl)-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylthio]-4-quinazolinone IUPAC Name: 3-(2,6-dimethylphenyl)-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,6-dimethylphenyl)-2-[1-(4-keto-1H-quinazolin-2-yl)ethylthio]quinazolin-4-one Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC(C)C4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC(C)C4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C26H22N4O2S/c1-15-9-8-10-16(2)22(15)30-25(32)19-12-5-7-14-21(19)28-26(30)33-17(3)23-27-20-13-6-4-11-18(20)24(31)29-23/h4-14,17H,1-3H3,(H,27,29,31)