2-[4-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]phenyl]benzonitrile Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C25H21N3O2S/c26-16-20-6-1-2-7-21(20)19-12-10-18(11-13-19)17-31-25-27-23-9-4-3-8-22(23)24(30)28(25)14-5-15-29/h1-4,6-13,29H,5,14-15,17H2