2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C18H21N3OS/c1-12-6-5-9-16(13(12)2)21-17(22)14-7-3-4-8-15(14)20-18(21)23-11-10-19/h3-4,7-8,12-13,16H,5-6,9,11H2,1-2H3/t12-,13+,16+/m0/s1