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

Systemtic Name: 4-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanenitrile Openeye Name: 4-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-quinazolin-2-yl]sulfanylbutanenitrile CAS Name: 4-[[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxo-2-quinazolinyl]thio]butanenitrile IUPAC Name: 4-[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[[3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-keto-quinazolin-2-yl]thio]butyronitrile Formula: C20H25N3OS MolecularWeight: 355.497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCCCC#N

InChI

InChI=1S/C20H25N3OS/c1-14-8-7-11-18(15(14)2)23-19(24)16-9-3-4-10-17(16)22-20(23)25-13-6-5-12-21/h3-4,9-10,14-15,18H,5-8,11,13H2,1-2H3/t14-,15+,18+/m0/s1