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

Systemtic Name: 2-[3-(2-methylpropyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylethanenitrile Openeye Name: 2-(3-isobutyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile CAS Name: 2-[[3-(2-methylpropyl)-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl]thio]acetonitrile IUPAC Name: 2-[3-(2-methylpropyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetonitrile Traditional Name: 2-[(3-isobutyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)thio]acetonitrile Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC#N

InChI

InChI=1S/C22H25N3OS/c1-15(2)14-25-20(26)18-19(24-21(25)27-12-11-23)17-8-4-3-7-16(17)13-22(18)9-5-6-10-22/h3-4,7-8,15H,5-6,9-10,12-14H2,1-2H3