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

Systemtic Name: 2-(3-methyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-methyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile CAS Name: 2-[(3-methyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetonitrile IUPAC Name: 2-(3-methyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-3-methyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]acetonitrile Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N

Isomeric SMILES

CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N

InChI

InChI=1S/C20H21N3OS/c1-23-18(24)16-17(22-19(23)25-12-11-21)15-8-4-3-7-14(15)13-20(16)9-5-2-6-10-20/h3-4,7-8H,2,5-6,9-10,12-13H2,1H3