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

Systemtic Name: 3-[4-(2-methylphenyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(o-tolyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2-methylphenyl)-5-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(2-methylphenyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(o-tolyl)-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:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(O3)S(=O)(=O)N4CCCC4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(O3)S(=O)(=O)N4CCCC4)C5=CN=CC=C5

InChI

InChI=1S/C23H23N5O3S2/c1-17-7-2-3-9-20(17)28-22(18-8-6-12-24-15-18)25-26-23(28)32-16-19-10-11-21(31-19)33(29,30)27-13-4-5-14-27/h2-3,6-12,15H,4-5,13-14,16H2,1H3