(2R)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C25H30N4OS2 MolecularWeight: 466.6619

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)N4CCCC4)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2S[C@H](C3=CC=CC=C3)C(=O)N4CCCC4)CC5=CC=CS5

InChI

InChI=1S/C25H30N4OS2/c30-24(28-15-7-8-16-28)23(19-10-3-1-4-11-19)32-25-27-26-22(18-21-14-9-17-31-21)29(25)20-12-5-2-6-13-20/h1,3-4,9-11,14,17,20,23H,2,5-8,12-13,15-16,18H2/t23-/m1/s1