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

Systemtic Name: 2-(3-cyclohexyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-cyclohexyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile CAS Name: 2-[(3-cyclohexyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetonitrile IUPAC Name: 2-(3-cyclohexyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-cyclohexyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]acetonitrile Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#N

InChI

InChI=1S/C25H29N3OS/c26-15-16-30-24-27-22-20-12-6-5-9-18(20)17-25(13-7-2-8-14-25)21(22)23(29)28(24)19-10-3-1-4-11-19/h5-6,9,12,19H,1-4,7-8,10-11,13-14,16-17H2