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

Systemtic Name: 3-[3-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetyl]indol-1-yl]propionitrile Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CN(C5=CC=CC=C54)CCC#N

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CN(C5=CC=CC=C54)CCC#N

InChI

InChI=1S/C26H24N4O2S/c27-14-7-15-29-16-21(19-10-4-6-13-23(19)29)24(31)17-33-26-28-22-12-5-3-11-20(22)25(32)30(26)18-8-1-2-9-18/h3-6,10-13,16,18H,1-2,7-9,15,17H2