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

Systemtic Name: 2-(4-oxidanylidene-3-prop-2-enyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylethanenitrile Openeye Name: 2-(3-allyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)thio]acetonitrile IUPAC Name: 2-(4-oxo-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-allyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)thio]acetonitrile Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N

InChI

InChI=1S/C22H23N3OS/c1-2-13-25-20(26)18-19(24-21(25)27-14-12-23)17-9-5-4-8-16(17)15-22(18)10-6-3-7-11-22/h2,4-5,8-9H,1,3,6-7,10-11,13-15H2