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

Systemtic Name: 3-[[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[(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(=C3)C#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC(=C3)C#N

InChI

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