[4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate

Systemtic Name: [4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Openeye Name: [4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate CAS Name: 2-pentyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-nonylcyclohexyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]phenyl] 2-pentyl-1,3-dithiane-5-carboxylate Traditional Name: 2-amyl-1,3-dithiane-5-carboxylic acid [4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]phenyl] ester Formula: C35H52N2O2S2 MolecularWeight: 596.92958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CSC(SC4)CCCCC

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C4CSC(SC4)CCCCC

InChI

InChI=1S/C35H52N2O2S2/c1-3-5-7-8-9-10-12-13-27-15-17-28(18-16-27)30-23-36-34(37-24-30)29-19-21-32(22-20-29)39-35(38)31-25-40-33(41-26-31)14-11-6-4-2/h19-24,27-28,31,33H,3-18,25-26H2,1-2H3