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

Systemtic Name: 2-(4-oxidanylidene-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanenitrile Openeye Name: 2-(4-oxo-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-phenyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetonitrile IUPAC Name: 2-(4-oxo-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]acetonitrile Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC#N)C5=CC=CC=C5

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC#N)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3OS/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/h1,3-6,9-12H,2,7-8,13-14,16-17H2