2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one Openeye Name: 2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one CAS Name: 2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-3-(3-phenylpropyl)-4-quinazolinone IUPAC Name: 2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-3-(3-phenylpropyl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]-3-(3-phenylpropyl)quinazolin-4-one Formula: C28H26N4O2S MolecularWeight: 482.59664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCC5=CC=CC=C5

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O2S/c33-26(32-19-17-24(30-32)22-13-5-2-6-14-22)20-35-28-29-25-16-8-7-15-23(25)27(34)31(28)18-9-12-21-10-3-1-4-11-21/h1-8,10-11,13-16H,9,12,17-20H2