2-(4-oxidanylidene-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(4-oxidanylidene-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylethanenitrile Openeye Name: 2-(4-oxo-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-propyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl)thio]acetonitrile IUPAC Name: 2-(4-oxo-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)thio]acetonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC#N

Isomeric SMILES

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC#N

InChI

InChI=1S/C21H23N3OS/c1-2-12-24-19(25)17-18(23-20(24)26-13-11-22)16-8-4-3-7-15(16)14-21(17)9-5-6-10-21/h3-4,7-8H,2,5-6,9-10,12-14H2,1H3