(2R)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C26H25N5O2S MolecularWeight: 471.574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SC(C3=CC=CC=C3)C(=O)N4CCCC4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2S[C@H](C3=CC=CC=C3)C(=O)N4CCCC4)C5=CC=NC=C5

InChI

InChI=1S/C26H25N5O2S/c1-33-22-11-9-21(10-12-22)31-24(20-13-15-27-16-14-20)28-29-26(31)34-23(19-7-3-2-4-8-19)25(32)30-17-5-6-18-30/h2-4,7-16,23H,5-6,17-18H2,1H3/t23-/m1/s1