2-[3-[3-[ethyl(phenyl)amino]propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[3-[ethyl(phenyl)amino]propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-[3-(N-ethylanilino)propyl]-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[3-(N-ethylanilino)propyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[3-(N-ethylanilino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-[3-(N-ethylanilino)propyl]-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCN1C(=O)C2=CC=CC=C2N=C1SCC#N)C3=CC=CC=C3

Isomeric SMILES

CCN(CCCN1C(=O)C2=CC=CC=C2N=C1SCC#N)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-2-24(17-9-4-3-5-10-17)14-8-15-25-20(26)18-11-6-7-12-19(18)23-21(25)27-16-13-22/h3-7,9-12H,2,8,14-16H2,1H3