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

Systemtic Name: 4-[[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 4-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C21H15N3O2S MolecularWeight: 373.4277

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C#N)CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)C#N)CC4=CC=CO4

InChI

InChI=1S/C21H15N3O2S/c22-12-15-7-9-16(10-8-15)14-27-21-23-19-6-2-1-5-18(19)20(25)24(21)13-17-4-3-11-26-17/h1-11H,13-14H2