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

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylethanenitrile Openeye Name: 2-(4-oxo-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-phenethyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl)thio]acetonitrile IUPAC Name: 2-(4-oxo-3-phenethylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)thio]acetonitrile Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC#N)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC#N)CCC5=CC=CC=C5

InChI

InChI=1S/C26H25N3OS/c27-15-17-31-25-28-23-21-11-5-4-10-20(21)18-26(13-6-7-14-26)22(23)24(30)29(25)16-12-19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-14,16-18H2