3-[[(2R)-oxolan-2-yl]methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 3-[[(2R)-oxolan-2-yl]methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 4-phenyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-[[(2R)-2-oxolanyl]methylthio]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[[(2R)-oxolan-2-yl]methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 4-phenyl-3-(3-pyrrolidinosulfonylphenyl)-5-[[(2R)-tetrahydrofuran-2-yl]methylthio]-1,2,4-triazole Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SCC5CCCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(N3C4=CC=CC=C4)SC[C@H]5CCCO5

InChI

InChI=1S/C23H26N4O3S2/c28-32(29,26-13-4-5-14-26)21-12-6-8-18(16-21)22-24-25-23(31-17-20-11-7-15-30-20)27(22)19-9-2-1-3-10-19/h1-3,6,8-10,12,16,20H,4-5,7,11,13-15,17H2/t20-/m1/s1