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

Systemtic Name: 2-[[3-(2-diethylaminoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[3-(2-diethylaminoethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-(2-diethylaminoethyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-(2-diethylaminoethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[3-(2-diethylaminoethyl)-4-keto-quinazolin-2-yl]thio]methyl]benzonitrile Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H24N4OS/c1-3-25(4-2)13-14-26-21(27)19-11-7-8-12-20(19)24-22(26)28-16-18-10-6-5-9-17(18)15-23/h5-12H,3-4,13-14,16H2,1-2H3