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

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-spiro[6H-benzo[h]phthalazine-5,1'-cyclohexane]-1-yl)sulfanylethanenitrile Openeye Name: 2-(4-oxo-3-phenethyl-spiro[6H-benzo[h]phthalazine-5,1'-cyclohexane]-1-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-phenethyl-1-spiro[6H-benzo[h]phthalazine-5,1'-cyclohexane]yl)thio]acetonitrile IUPAC Name: 2-(4-oxo-3-phenethylspiro[6H-benzo[h]phthalazine-5,1'-cyclohexane]-1-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-3-phenethyl-spiro[6H-benzo[h]phthalazine-5,1'-cyclohexane]-1-yl)thio]acetonitrile Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(N=C4SCC#N)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(N=C4SCC#N)CCC5=CC=CC=C5

InChI

InChI=1S/C27H27N3OS/c28-16-18-32-25-23-22-12-6-5-11-21(22)19-27(14-7-2-8-15-27)24(23)26(31)30(29-25)17-13-20-9-3-1-4-10-20/h1,3-6,9-12H,2,7-8,13-15,17-19H2