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

Systemtic Name: 4-[[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O2S/c1-2-26-13-5-12-24-20(25)18-6-3-4-7-19(18)23-21(24)27-15-17-10-8-16(14-22)9-11-17/h3-4,6-11H,2,5,12-13,15H2,1H3