1-[[3-(5-tert-butyl-1,3-thiazol-2-yl)cyclohexyl]methyl]cinnoline-4-thione

Systemtic Name: 1-[[3-(5-tert-butyl-1,3-thiazol-2-yl)cyclohexyl]methyl]cinnoline-4-thione Openeye Name: 1-[[3-(5-tert-butylthiazol-2-yl)cyclohexyl]methyl]cinnoline-4-thione CAS Name: 1-[[3-(5-tert-butyl-2-thiazolyl)cyclohexyl]methyl]-4-cinnolinethione IUPAC Name: 1-[[3-(5-tert-butyl-1,3-thiazol-2-yl)cyclohexyl]methyl]cinnoline-4-thione Traditional Name: 1-[[3-(5-tert-butylthiazol-2-yl)cyclohexyl]methyl]cinnoline-4-thione Formula: C22H27N3S2 MolecularWeight: 397.59988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN=C(S1)C2CCCC(C2)CN3C4=CC=CC=C4C(=S)C=N3

Isomeric SMILES

CC(C)(C)C1=CN=C(S1)C2CCCC(C2)CN3C4=CC=CC=C4C(=S)C=N3

InChI

InChI=1S/C22H27N3S2/c1-22(2,3)20-13-23-21(27-20)16-8-6-7-15(11-16)14-25-18-10-5-4-9-17(18)19(26)12-24-25/h4-5,9-10,12-13,15-16H,6-8,11,14H2,1-3H3