2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C25H19N3O4S MolecularWeight: 457.50106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H19N3O4S/c1-2-32-17-13-11-16(12-14-17)28-24(31)20-9-5-6-10-21(20)26-25(28)33-15-27-22(29)18-7-3-4-8-19(18)23(27)30/h3-14H,2,15H2,1H3