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

Systemtic Name: 2-[[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[(3-isoamyl-4-keto-quinazolin-2-yl)thio]methyl]benzonitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H21N3OS/c1-15(2)11-12-24-20(25)18-9-5-6-10-19(18)23-21(24)26-14-17-8-4-3-7-16(17)13-22/h3-10,15H,11-12,14H2,1-2H3