3-[4-(phenylmethyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(phenylmethyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-benzyl-5-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(phenylmethyl)-5-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-benzyl-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-benzyl-5-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1,2,4-triazol-3-yl]pyridine Formula: C23H23N5O3S2 MolecularWeight: 481.59042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C23H23N5O3S2/c29-33(30,27-13-4-5-14-27)21-11-10-20(31-21)17-32-23-26-25-22(19-9-6-12-24-15-19)28(23)16-18-7-2-1-3-8-18/h1-3,6-12,15H,4-5,13-14,16-17H2