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

Systemtic Name: 2-(3-butyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-butyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile CAS Name: 2-[(3-butyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetonitrile IUPAC Name: 2-(3-butyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-butyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]acetonitrile Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N

InChI

InChI=1S/C23H27N3OS/c1-2-3-14-26-21(27)19-20(25-22(26)28-15-13-24)18-10-6-5-9-17(18)16-23(19)11-7-4-8-12-23/h5-6,9-10H,2-4,7-8,11-12,14-16H2,1H3