2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-[(1S)-1,5-dimethylhexyl]-4-oxo-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-[(2S)-6-methylheptan-2-yl]-4-oxo-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[3-[(2S)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-[(1S)-1,5-dimethylhexyl]-4-keto-quinazolin-2-yl]thio]acetonitrile Formula: C18H23N3OS MolecularWeight: 329.45972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC#N

Isomeric SMILES

C[C@@H](CCCC(C)C)N1C(=O)C2=CC=CC=C2N=C1SCC#N

InChI

InChI=1S/C18H23N3OS/c1-13(2)7-6-8-14(3)21-17(22)15-9-4-5-10-16(15)20-18(21)23-12-11-19/h4-5,9-10,13-14H,6-8,12H2,1-3H3/t14-/m0/s1