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

Systemtic Name: 4-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC#N)CC3=CC=CO3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC#N)CC3=CC=CO3

InChI

InChI=1S/C17H15N3O2S/c18-9-3-4-11-23-17-19-15-8-2-1-7-14(15)16(21)20(17)12-13-6-5-10-22-13/h1-2,5-8,10H,3-4,11-12H2