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

Systemtic Name: 2-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[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=C4C#N

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N

InChI

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