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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N

InChI

InChI=1S/C21H23N3OS/c1-2-24-19(25)17-18(23-20(24)26-13-12-22)16-9-5-4-8-15(16)14-21(17)10-6-3-7-11-21/h4-5,8-9H,2-3,6-7,10-11,13-14H2,1H3