4-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]methyl]-N-phenyl-benzamide Formula: C28H22N4O2S MolecularWeight: 478.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H22N4O2S/c1-19-15-16-29-25(17-19)32-27(34)23-9-5-6-10-24(23)31-28(32)35-18-20-11-13-21(14-12-20)26(33)30-22-7-3-2-4-8-22/h2-17H,18H2,1H3,(H,30,33)