cyclohexyl-[2-[5-[methyl(phenethyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]-phenyl-methanol

Systemtic Name: cyclohexyl-[2-[5-[methyl(phenethyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]-phenyl-methanol Openeye Name: cyclohexyl-[2-[5-[methyl(phenethyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]-phenyl-methanol CAS Name: cyclohexyl-[2-[5-[methyl(phenethyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]-phenylmethanol IUPAC Name: cyclohexyl-[2-[5-[methyl(phenethyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]-phenylmethanol Traditional Name: cyclohexyl-[2-[5-[methyl(phenethyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]-phenyl-methanol Formula: C31H41NOS2 MolecularWeight: 507.79334

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)CC#CCCC2(SCCCS2)C(C3CCCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

CN(CCC1=CC=CC=C1)CC#CCCC2(SCCCS2)C(C3CCCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C31H41NOS2/c1-32(24-21-27-15-6-2-7-16-27)23-13-5-12-22-30(34-25-14-26-35-30)31(33,28-17-8-3-9-18-28)29-19-10-4-11-20-29/h2-3,6-9,15-18,29,33H,4,10-12,14,19-26H2,1H3