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

Systemtic Name: 2-[(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(3-hexyl-4-oxo-2-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 2-[(3-hexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(3-hexyl-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H23N3OS/c1-2-3-4-9-14-25-21(26)19-12-7-8-13-20(19)24-22(25)27-16-18-11-6-5-10-17(18)15-23/h5-8,10-13H,2-4,9,14,16H2,1H3