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

Systemtic Name: 3-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H19N3O2S/c22-12-15-5-3-6-16(11-15)14-27-21-23-19-9-2-1-8-18(19)20(25)24(21)13-17-7-4-10-26-17/h1-3,5-6,8-9,11,17H,4,7,10,13-14H2