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

Systemtic Name: 1-phenyl-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 1-phenyl-3-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,2,4-triazole CAS Name: 1-phenyl-3-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,2,4-triazole IUPAC Name: 1-phenyl-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 1-phenyl-3-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1,2,4-triazole Formula: C17H18N4O3S2 MolecularWeight: 390.47982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CSC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CSC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C17H18N4O3S2/c22-26(23,20-10-4-5-11-20)16-9-8-15(24-16)12-25-17-18-13-21(19-17)14-6-2-1-3-7-14/h1-3,6-9,13H,4-5,10-12H2