3-[3-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]indol-1-yl]propionitrile Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C23H20N4O2S/c1-2-27-22(29)17-9-3-5-10-19(17)25-23(27)30-15-21(28)18-14-26(13-7-12-24)20-11-6-4-8-16(18)20/h3-6,8-11,14H,2,7,13,15H2,1H3