3-[[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H23N3O2S/c1-16(2)27-12-6-11-25-21(26)19-9-3-4-10-20(19)24-22(25)28-15-18-8-5-7-17(13-18)14-23/h3-5,7-10,13,16H,6,11-12,15H2,1-2H3