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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)(C3(SCCCS3)CCC#CCNCCCC4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)(C3(SCCCS3)CCC#CCNCCCC4=CC=CC=C4)O

InChI

InChI=1S/C31H41NOS2/c33-31(28-18-7-2-8-19-28,29-20-9-3-10-21-29)30(34-25-14-26-35-30)22-11-4-12-23-32-24-13-17-27-15-5-1-6-16-27/h1-2,5-8,15-16,18-19,29,32-33H,3,9-11,13-14,17,20-26H2