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

Systemtic Name: 3-[[(2R)-oxan-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)-tetrahydropyran-2-yl]methylsulfanyl]-1,2,4-triazole CAS Name: 3-[[(2R)-2-oxanyl]methylthio]-4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[[(2R)-oxan-2-yl]methylsulfanyl]-4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 4-phenyl-3-(3-pyrrolidinosulfonylphenyl)-5-[[(2R)-tetrahydropyran-2-yl]methylthio]-1,2,4-triazole Formula: C24H28N4O3S2 MolecularWeight: 484.63412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

C1CCO[C@H](C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C24H28N4O3S2/c29-33(30,27-14-5-6-15-27)22-13-8-9-19(17-22)23-25-26-24(28(23)20-10-2-1-3-11-20)32-18-21-12-4-7-16-31-21/h1-3,8-11,13,17,21H,4-7,12,14-16,18H2/t21-/m1/s1