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

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-hexyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile CAS Name: 2-[(3-hexyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetonitrile IUPAC Name: 2-(3-hexyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-hexyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]acetonitrile Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N

Isomeric SMILES

CCCCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N

InChI

InChI=1S/C25H31N3OS/c1-2-3-4-10-16-28-23(29)21-22(27-24(28)30-17-15-26)20-12-7-6-11-19(20)18-25(21)13-8-5-9-14-25/h6-7,11-12H,2-5,8-10,13-14,16-18H2,1H3