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

Systemtic Name: 5-(4-methoxyphenyl)-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(4-methoxyphenyl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(4-methoxyphenyl)-3-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(4-methoxyphenyl)-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(4-methoxyphenyl)-3-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1H-1,2,4-triazole Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H20N4O4S2/c1-25-14-6-4-13(5-7-14)17-19-18(21-20-17)27-12-15-8-9-16(26-15)28(23,24)22-10-2-3-11-22/h4-9H,2-3,10-12H2,1H3,(H,19,20,21)