2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanyl-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]-3-(4-phenoxyphenyl)quinazolin-4-one Formula: C26H19N3O3S MolecularWeight: 453.51236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CC=CN5

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CC=CN5

InChI

InChI=1S/C26H19N3O3S/c30-24(23-11-6-16-27-23)17-33-26-28-22-10-5-4-9-21(22)25(31)29(26)18-12-14-20(15-13-18)32-19-7-2-1-3-8-19/h1-16,27H,17H2